CID 10488153

4-methoxypyridine-2,6-dicarboxylic acid

Structural Information

Molecular Formula
C8H7NO5
SMILES
COC1=CC(=NC(=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C8H7NO5/c1-14-4-2-5(7(10)11)9-6(3-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKey
INGKNNWONGEVCL-UHFFFAOYSA-N
Compound name
4-methoxypyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

197.03242 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03970 136.3
[M+Na]+ 220.02164 144.9
[M-H]- 196.02514 136.7
[M+NH4]+ 215.06624 152.9
[M+K]+ 235.99558 143.8
[M+H-H2O]+ 180.02968 130.3
[M+HCOO]- 242.03062 156.4
[M+CH3COO]- 256.04627 178.7
[M+Na-2H]- 218.00709 140.4
[M]+ 197.03187 138.0
[M]- 197.03297 138.0
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