CID 12326826

62838-65-7

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC(=O)C1=CC=CNC1=O
InChI
InChI=1S/C7H7NO2/c1-5(9)6-3-2-4-8-7(6)10/h2-4H,1H3,(H,8,10)
InChIKey
PYKHYSXTVOVOHV-UHFFFAOYSA-N
Compound name
3-acetyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

99
Patents

137.04768 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 125.2
[M+Na]+ 160.03690 138.0
[M+NH4]+ 155.08150 132.8
[M+K]+ 176.01084 132.8
[M-H]- 136.04040 125.7
[M+Na-2H]- 158.02235 131.7
[M]+ 137.04713 127.0
[M]- 137.04823 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe