CID 97266

3-acetoxy-2-pyridone

Structural Information

Molecular Formula
C7H7NO3
SMILES
CC(=O)OC1=CC=CNC1=O
InChI
InChI=1S/C7H7NO3/c1-5(9)11-6-3-2-4-8-7(6)10/h2-4H,1H3,(H,8,10)
InChIKey
AVXFMBRAPTYFOX-UHFFFAOYSA-N
Compound name
(2-oxo-1H-pyridin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

153.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 126.8
[M+Na]+ 176.031808 135.9
[M-H]- 152.035314 128.3
[M+NH4]+ 171.076413 146.0
[M+K]+ 192.005748 134.3
[M+H-H2O]+ 136.039850 120.9
[M+HCOO]- 198.040791 149.3
[M+CH3COO]- 212.056441 171.0
[M+Na-2H]- 174.017256 133.7
[M]+ 153.04204142 127.2
[M]- 153.04313858 127.2
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