CID 55274735

5-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid hydrobromide

Structural Information

Molecular Formula
C7H7NO3
SMILES
CC1=CNC(=CC1=O)C(=O)O
InChI
InChI=1S/C7H7NO3/c1-4-3-8-5(7(10)11)2-6(4)9/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKey
QMVNFDYSRQUINB-UHFFFAOYSA-N
Compound name
5-methyl-4-oxo-1H-pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 128.7
[M+Na]+ 176.03181 140.8
[M+NH4]+ 171.07641 135.3
[M+K]+ 192.00575 136.6
[M-H]- 152.03531 128.1
[M+Na-2H]- 174.01726 133.8
[M]+ 153.04204 129.9
[M]- 153.04314 129.9
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.