CID 18681942

3-hydroxy-4-methylpyridine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H7NO3
SMILES
CC1=C(C(=NC=C1)C(=O)O)O
InChI
InChI=1S/C7H7NO3/c1-4-2-3-8-5(6(4)9)7(10)11/h2-3,9H,1H3,(H,10,11)
InChIKey
FGIOYVALQZKTOU-UHFFFAOYSA-N
Compound name
3-hydroxy-4-methylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

153.04259 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 129.0
[M+Na]+ 176.03181 141.1
[M+NH4]+ 171.07641 135.9
[M+K]+ 192.00575 137.1
[M-H]- 152.03531 128.7
[M+Na-2H]- 174.01726 134.3
[M]+ 153.04204 130.4
[M]- 153.04314 130.4
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