CID 12342664

Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate

Structural Information

Molecular Formula
C7H7NO3
SMILES
COC(=O)C1=CC=CC(=O)N1
InChI
InChI=1S/C7H7NO3/c1-11-7(10)5-3-2-4-6(9)8-5/h2-4H,1H3,(H,8,9)
InChIKey
GJLWQAUHCDNAEK-UHFFFAOYSA-N
Compound name
methyl 6-oxo-1H-pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

153.04259 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe