Spectrum KO003400 for Mecamylamine

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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
InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3
IMYZQPCYWPFTAG-UHFFFAOYSA-N
C11H21N
167.167399672
N(C)C1(C)C2CCC(C2)C1(C)C

Mass Spectral Metadata

NameValue
KO003400
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID M039
167.1674
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
1.5397309845892595
0.46207577592778126
168
[M+H]+
1043.867095238024 ppm
-0.17536967199998799 Da