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

80
Patents

153.04259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 125.8
[M+Na]+ 176.03181 135.8
[M-H]- 152.03531 127.7
[M+NH4]+ 171.07641 145.3
[M+K]+ 192.00575 134.2
[M+H-H2O]+ 136.03985 120.2
[M+HCOO]- 198.04079 148.4
[M+CH3COO]- 212.05644 172.8
[M+Na-2H]- 174.01726 132.1
[M]+ 153.04204 126.8
[M]- 153.04314 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