CID 439464

5-hydroxy-6-methylpyridine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

11
References

21
Patents

153.04259 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 127.9
[M+Na]+ 176.03181 137.1
[M-H]- 152.03531 128.3
[M+NH4]+ 171.07641 146.6
[M+K]+ 192.00575 135.2
[M+H-H2O]+ 136.03985 122.4
[M+HCOO]- 198.04079 148.7
[M+CH3COO]- 212.05644 171.1
[M+Na-2H]- 174.01726 133.6
[M]+ 153.04204 127.6
[M]- 153.04314 127.6
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