CID 18753310

24195-10-6

Structural Information

Molecular Formula
C8H7NO4
SMILES
COC(=O)C1=NC=CC(=C1)C(=O)O
InChI
InChI=1S/C8H7NO4/c1-13-8(12)6-4-5(7(10)11)2-3-9-6/h2-4H,1H3,(H,10,11)
InChIKey
MAFJOMAYYKSZOS-UHFFFAOYSA-N
Compound name
2-methoxycarbonylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

181.0375 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.044776 133.8
[M+Na]+ 204.026718 142.0
[M-H]- 180.030224 135.2
[M+NH4]+ 199.071323 151.6
[M+K]+ 220.000658 141.3
[M+H-H2O]+ 164.034760 127.5
[M+HCOO]- 226.035701 155.2
[M+CH3COO]- 240.051351 177.0
[M+Na-2H]- 202.012166 139.0
[M]+ 181.03695142 135.4
[M]- 181.03804858 135.4
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