CID 168030481

Akos040818950

Structural Information

Molecular Formula
C9H9NO5
SMILES
COC(=O)C1=CC(=O)N(C=C1)CC(=O)O
InChI
InChI=1S/C9H9NO5/c1-15-9(14)6-2-3-10(5-8(12)13)7(11)4-6/h2-4H,5H2,1H3,(H,12,13)
InChIKey
AXSBKMKZNOGDMN-UHFFFAOYSA-N
Compound name
2-(4-methoxycarbonyl-2-oxopyridin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04807 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 139.2
[M+Na]+ 234.03729 148.2
[M-H]- 210.04079 140.9
[M+NH4]+ 229.08189 156.0
[M+K]+ 250.01123 147.2
[M+H-H2O]+ 194.04533 132.9
[M+HCOO]- 256.04627 160.7
[M+CH3COO]- 270.06192 182.7
[M+Na-2H]- 232.02274 143.4
[M]+ 211.04752 142.4
[M]- 211.04862 142.4
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

No patent data available for this compound.