CID 53440204

87853-70-1

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC1=C(C(=O)NC=C1)C(=O)O
InChI
InChI=1S/C7H7NO4/c1-12-4-2-3-8-6(9)5(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKey
BERLCVCBOXAQDJ-UHFFFAOYSA-N
Compound name
4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

169.0375 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 129.7
[M+Na]+ 192.02672 139.1
[M-H]- 168.03022 130.1
[M+NH4]+ 187.07132 147.6
[M+K]+ 208.00066 137.1
[M+H-H2O]+ 152.03476 124.0
[M+HCOO]- 214.03570 150.9
[M+CH3COO]- 228.05135 172.5
[M+Na-2H]- 190.01217 135.4
[M]+ 169.03695 130.1
[M]- 169.03805 130.1
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