CID 10953821

N-(3-cyanopyridin-2-yl)acetamide

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC(=O)NC1=C(C=CC=N1)C#N
InChI
InChI=1S/C8H7N3O/c1-6(12)11-8-7(5-9)3-2-4-10-8/h2-4H,1H3,(H,10,11,12)
InChIKey
FZQJJMNVXNHAMM-UHFFFAOYSA-N
Compound name
N-(3-cyano-2-pyridinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.05891 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 134.2
[M+Na]+ 184.048128 143.6
[M-H]- 160.051634 136.1
[M+NH4]+ 179.092733 151.2
[M+K]+ 200.022068 141.6
[M+H-H2O]+ 144.056170 120.8
[M+HCOO]- 206.057111 154.3
[M+CH3COO]- 220.072761 191.9
[M+Na-2H]- 182.033576 140.5
[M]+ 161.05836142 128.5
[M]- 161.05945858 128.5
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