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

77
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 128.6
[M+Na]+ 169.03724 139.0
[M-H]- 145.04074 130.7
[M+NH4]+ 164.08184 146.5
[M+K]+ 185.01118 136.8
[M+H-H2O]+ 129.04528 115.7
[M+HCOO]- 191.04622 147.9
[M+CH3COO]- 205.06187 188.1
[M+Na-2H]- 167.02269 134.9
[M]+ 146.04747 123.8
[M]- 146.04857 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