CID 819341

3-hydroxy-pyridine-2-carboxylic acid methyl ester

Structural Information

Molecular Formula
C7H7NO3
SMILES
COC(=O)C1=C(C=CC=N1)O
InChI
InChI=1S/C7H7NO3/c1-11-7(10)6-5(9)3-2-4-8-6/h2-4,9H,1H3
InChIKey
MHKKUZDJUGIOBC-UHFFFAOYSA-N
Compound name
methyl 3-hydroxypyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

704
Patents

153.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 127.7
[M+Na]+ 176.031808 136.5
[M-H]- 152.035314 129.3
[M+NH4]+ 171.076413 147.0
[M+K]+ 192.005748 135.6
[M+H-H2O]+ 136.039850 121.7
[M+HCOO]- 198.040791 150.1
[M+CH3COO]- 212.056441 171.8
[M+Na-2H]- 174.017256 134.7
[M]+ 153.04204142 128.9
[M]- 153.04313858 128.9
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