CID 10464460

2-acetylpyridine-4-carbonitrile

Structural Information

Molecular Formula
C8H6N2O
SMILES
CC(=O)C1=NC=CC(=C1)C#N
InChI
InChI=1S/C8H6N2O/c1-6(11)8-4-7(5-9)2-3-10-8/h2-4H,1H3
InChIKey
WISLYNBDMYWHNF-UHFFFAOYSA-N
Compound name
2-acetylpyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

146.04802 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.055296 128.6
[M+Na]+ 169.037238 139.0
[M-H]- 145.040744 130.7
[M+NH4]+ 164.081843 146.5
[M+K]+ 185.011178 136.8
[M+H-H2O]+ 129.045280 115.7
[M+HCOO]- 191.046221 147.9
[M+CH3COO]- 205.061871 188.1
[M+Na-2H]- 167.022686 134.9
[M]+ 146.04747142 123.8
[M]- 146.04856858 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe