Spectrum CCMSLIB00000080451 for "MLS001049073-01!4-[(2R)-2-[(1R,3R,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione"

Rating: (*)★(*)★(*)★(*)★(*)☆

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
C15H23NO4
281.162708216
O=C1NC(=O)CC(C1)CC(O)C2C(=O)C(C)CC(C)C2
InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9+,11+,12+/m0/s1
YPHMISFOHDHNIV-LUTQBAROSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
NIH Natural Product Library
qTof
281.163
1
p2-B09_GB9_01_17997.mzXML
GNPS-NIH-NATURALPRODUCTSLIBRARY
vphelan, Dorrestein, VVP/LMS
positive
5.409886642949325
0.9199653595108147
282.171
[M+H]+
1.1403865031962384 ppm
3.217839999933858E-4 Da