CID 12286524

1-methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
CN1C(=O)C=CC=C1C(=O)O
InChI
InChI=1S/C7H7NO3/c1-8-5(7(10)11)3-2-4-6(8)9/h2-4H,1H3,(H,10,11)
InChIKey
NQIGVOXZWAROOG-UHFFFAOYSA-N
Compound name
1-methyl-6-oxopyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
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 125.8
[M+Na]+ 176.031808 135.8
[M-H]- 152.035314 127.7
[M+NH4]+ 171.076413 145.3
[M+K]+ 192.005748 134.2
[M+H-H2O]+ 136.039850 120.2
[M+HCOO]- 198.040791 148.4
[M+CH3COO]- 212.056441 172.8
[M+Na-2H]- 174.017256 132.1
[M]+ 153.04204142 126.8
[M]- 153.04313858 126.8
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

patents stripe