CID 10464460

2-acetylisonicotinonitrile

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

73
Patents

146.04802 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 130.8
[M+Na]+ 169.03724 143.4
[M+NH4]+ 164.08184 135.5
[M+K]+ 185.01118 134.5
[M-H]- 145.04074 125.0
[M+Na-2H]- 167.02269 135.3
[M]+ 146.04747 130.1
[M]- 146.04857 130.1
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