CID 1201510

1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
CN1C=CC=C(C1=O)C(=O)O
InChI
InChI=1S/C7H7NO3/c1-8-4-2-3-5(6(8)9)7(10)11/h2-4H,1H3,(H,10,11)
InChIKey
DFAQSHLYVFQOJM-UHFFFAOYSA-N
Compound name
1-methyl-2-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

283
Patents

153.04259 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe