CID 12863383

1-(acetyloxy)-2(1h)-pyridinone

Structural Information

Molecular Formula
C7H7NO3
SMILES
CC(=O)ON1C=CC=CC1=O
InChI
InChI=1S/C7H7NO3/c1-6(9)11-8-5-3-2-4-7(8)10/h2-5H,1H3
InChIKey
UJUSOQVPBUMWBC-UHFFFAOYSA-N
Compound name
(2-oxo-1-pyridinyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

153.04259 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 125.8
[M+Na]+ 176.031808 135.3
[M-H]- 152.035314 128.8
[M+NH4]+ 171.076413 145.7
[M+K]+ 192.005748 134.7
[M+H-H2O]+ 136.039850 119.6
[M+HCOO]- 198.040791 149.9
[M+CH3COO]- 212.056441 173.6
[M+Na-2H]- 174.017256 133.3
[M]+ 153.04204142 128.1
[M]- 153.04313858 128.1
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