Spectrum KO002591 for 2-Cyanopyridine

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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/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H
FFNVQNRYTPFDDP-UHFFFAOYSA-N
C6H4N2
104.037448128
N#CC1=NC=CC=C1

Mass Spectral Metadata

NameValue
KO002591
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 C089
104.03745
API3000, Applied Biosystems
LC-ESI-QQ
MS2
50 V
positive
1.0717058469388292
0.7730723553351777
105
[M+H]+
432.55359999994613 ppm
-0.04541812799999434 Da