CID 178244242

2-hydroxy-1-(1-oxidopyridin-1-ium-3-yl)ethanone

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=CC(=C[N+](=C1)[O-])C(=O)CO
InChI
InChI=1S/C7H7NO3/c9-5-7(10)6-2-1-3-8(11)4-6/h1-4,9H,5H2
InChIKey
OEDXSRMENZIMRT-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(1-oxidopyridin-1-ium-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.04259 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 128.2
[M+Na]+ 176.031808 136.4
[M-H]- 152.035314 128.4
[M+NH4]+ 171.076413 146.3
[M+K]+ 192.005748 129.9
[M+H-H2O]+ 136.039850 127.4
[M+HCOO]- 198.040791 149.7
[M+CH3COO]- 212.056441 162.1
[M+Na-2H]- 174.017256 136.6
[M]+ 153.04204142 125.7
[M]- 153.04313858 125.7
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

No patent data available for this compound.