CID 440748

Q42403269

Structural Information

Molecular Formula
C9H9NO6
SMILES
C1=C(NC(=O)C(C1=O)CCC(=O)O)C(=O)O
InChI
InChI=1S/C9H9NO6/c11-6-3-5(9(15)16)10-8(14)4(6)1-2-7(12)13/h3-4H,1-2H2,(H,10,14)(H,12,13)(H,15,16)
InChIKey
ULXCSAHGKRUKML-UHFFFAOYSA-N
Compound name
5-(2-carboxyethyl)-4,6-dioxo-1H-pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04298 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05026 147.1
[M+Na]+ 250.03220 154.9
[M+NH4]+ 245.07680 150.3
[M+K]+ 266.00614 153.6
[M-H]- 226.03570 143.2
[M+Na-2H]- 248.01765 147.0
[M]+ 227.04243 146.3
[M]- 227.04353 146.3
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.