CID 94960

2-hydroxy-6-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
CC1=CC=C(C(=O)N1)C(=O)O
InChI
InChI=1S/C7H7NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKey
XRIHTJYXIHOBDQ-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

669
Patents

153.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 126.9
[M+Na]+ 176.03181 136.4
[M-H]- 152.03531 127.4
[M+NH4]+ 171.07641 145.6
[M+K]+ 192.00575 133.9
[M+H-H2O]+ 136.03985 121.5
[M+HCOO]- 198.04079 147.9
[M+CH3COO]- 212.05644 170.3
[M+Na-2H]- 174.01726 132.6
[M]+ 153.04204 125.9
[M]- 153.04314 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

literature stripe

Patent stripe

patents stripe