Spectrum CCMSLIB00001058487 for Pesticide4_Spiroxamine Isomer 1*_C18H35NO2_N-Ethyl-N-{[8-(2-methyl-2-propanyl)-1,4-dioxaspiro[4.5]dec-2-yl]methyl}-1-propanamine

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
118134-30-8
n/a
InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
C18H35NO2
297.26677936
O1CC(OC12CCC(CC2)C(C)(C)C)CN(CC)CCC
PUYXTUJWRLOUCW-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
commercial
Q-Exactive Plus Orbitrap Res 70k
297.267
1
positive
Pesticide_Mix4_pos.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.2288262077608594
0.351443886838178
298.274
[M+H]+
2.512320886118651 ppm
-7.493599999861544E-4 Da