Spectrum KO002601 for Cyclohexylamine

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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/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
PAFZNILMFXTMIY-UHFFFAOYSA-N
C6H13N
99.10479941599999
NC1CCCCC1

Mass Spectral Metadata

NameValue
KO002601
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 C114
99.1048
API3000, Applied Biosystems
LC-ESI-QQ
MS2
50 V
positive
1.4134035423416478
0.6797034271037298
100
[M+H]+
1127.694159999919 ppm
-0.1127694159999919 Da