CID 165983230

En300-37371960

Structural Information

Molecular Formula
C9H9NO5
SMILES
COC1=C(C=C(C=N1)C(=O)OC)C(=O)O
InChI
InChI=1S/C9H9NO5/c1-14-7-6(8(11)12)3-5(4-10-7)9(13)15-2/h3-4H,1-2H3,(H,11,12)
InChIKey
KIPLBKHCGXOKAI-UHFFFAOYSA-N
Compound name
2-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04807 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 140.3
[M+Na]+ 234.03729 148.9
[M-H]- 210.04079 141.9
[M+NH4]+ 229.08189 157.1
[M+K]+ 250.01123 148.6
[M+H-H2O]+ 194.04533 133.9
[M+HCOO]- 256.04627 161.6
[M+CH3COO]- 270.06192 183.4
[M+Na-2H]- 232.02274 144.4
[M]+ 211.04752 144.1
[M]- 211.04862 144.1
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

No patent data available for this compound.