Spectrum KO003706 for Piperidine

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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/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
NQRYJNQNLNOLGT-UHFFFAOYSA-N
C5H11N
85.08914935199999
N1CCCCC1

Mass Spectral Metadata

NameValue
KO003706
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 P034
85.08915
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
0.30578042448482645
0.14704930066839378
86
[M+H]+
1129.2947906975917 ppm
-0.09711935199999289 Da