CID 2762945

Methyl 4-hydroxynicotinate

Structural Information

Molecular Formula
C7H7NO3
SMILES
COC(=O)C1=CNC=CC1=O
InChI
InChI=1S/C7H7NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h2-4H,1H3,(H,8,9)
InChIKey
IHBXKOZLARNEHF-UHFFFAOYSA-N
Compound name
methyl 4-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

153.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 126.8
[M+Na]+ 176.03181 135.9
[M-H]- 152.03531 128.3
[M+NH4]+ 171.07641 146.0
[M+K]+ 192.00575 134.3
[M+H-H2O]+ 136.03985 120.9
[M+HCOO]- 198.04079 149.3
[M+CH3COO]- 212.05644 171.0
[M+Na-2H]- 174.01726 133.7
[M]+ 153.04204 127.2
[M]- 153.04314 127.2
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