CID 820395

846046-02-4

Structural Information

Molecular Formula
C7H7NO3
SMILES
CC1=CC(=O)NC(=C1)C(=O)O
InChI
InChI=1S/C7H7NO3/c1-4-2-5(7(10)11)8-6(9)3-4/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKey
NRQBFLPXQKUYNO-UHFFFAOYSA-N
Compound name
4-methyl-6-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

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 126.9
[M+Na]+ 176.031808 136.4
[M-H]- 152.035314 127.4
[M+NH4]+ 171.076413 145.6
[M+K]+ 192.005748 133.9
[M+H-H2O]+ 136.039850 121.5
[M+HCOO]- 198.040791 147.9
[M+CH3COO]- 212.056441 170.3
[M+Na-2H]- 174.017256 132.6
[M]+ 153.04204142 125.9
[M]- 153.04313858 125.9
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.