CID 15882189

2-hydroxy-5-acetylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

137.04768 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 123.5
[M+Na]+ 160.03690 132.6
[M-H]- 136.04040 125.1
[M+NH4]+ 155.08150 143.4
[M+K]+ 176.01084 130.5
[M+H-H2O]+ 120.04494 117.9
[M+HCOO]- 182.04588 145.8
[M+CH3COO]- 196.06153 169.5
[M+Na-2H]- 158.02235 130.5
[M]+ 137.04713 122.6
[M]- 137.04823 122.6
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