CID 11041121

3-hydroxy-4-methoxypyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC1=C(C(=NC=C1)C(=O)O)O
InChI
InChI=1S/C7H7NO4/c1-12-4-2-3-8-5(6(4)9)7(10)11/h2-3,9H,1H3,(H,10,11)
InChIKey
OBHHCPRYWZKEIM-UHFFFAOYSA-N
Compound name
3-hydroxy-4-methoxypyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

537
Patents

169.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 130.6
[M+Na]+ 192.02672 139.7
[M-H]- 168.03022 131.0
[M+NH4]+ 187.07132 148.6
[M+K]+ 208.00066 138.4
[M+H-H2O]+ 152.03476 124.8
[M+HCOO]- 214.03570 151.6
[M+CH3COO]- 228.05135 173.3
[M+Na-2H]- 190.01217 136.4
[M]+ 169.03695 131.8
[M]- 169.03805 131.8
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