CID 4715126

30766-12-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

922
Patents

153.04259 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 128.9
[M+Na]+ 176.03181 141.2
[M+NH4]+ 171.07641 136.2
[M+K]+ 192.00575 136.6
[M-H]- 152.03531 129.0
[M+Na-2H]- 174.01726 135.0
[M]+ 153.04204 130.5
[M]- 153.04314 130.5
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