CID 276660

2-hydroxy-6-methylpyridine-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

135
Patents

153.04259 Da
Monoisotopic Mass

-0.2
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

literature stripe

Patent stripe

patents stripe