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

49
Patents

153.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 126.8
[M+Na]+ 176.031808 135.9
[M-H]- 152.035314 128.3
[M+NH4]+ 171.076413 146.0
[M+K]+ 192.005748 134.3
[M+H-H2O]+ 136.039850 120.9
[M+HCOO]- 198.040791 149.3
[M+CH3COO]- 212.056441 171.0
[M+Na-2H]- 174.017256 133.7
[M]+ 153.04204142 127.2
[M]- 153.04313858 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