CID 12414071

Methyl 3-hydroxyisonicotinate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

153.04259 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe