CID 102534335

18528-07-9

Structural Information

Molecular Formula
C8H7N3O4
SMILES
C1=C(C(=O)NC(=O)N1CCC(=O)O)C#N
InChI
InChI=1S/C8H7N3O4/c9-3-5-4-11(2-1-6(12)13)8(15)10-7(5)14/h4H,1-2H2,(H,12,13)(H,10,14,15)
InChIKey
IPNVPPYKPKBHLP-UHFFFAOYSA-N
Compound name
3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.04366 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05094 142.7
[M+Na]+ 232.03288 153.4
[M+NH4]+ 227.07748 143.9
[M+K]+ 248.00682 146.9
[M-H]- 208.03638 133.4
[M+Na-2H]- 230.01833 143.7
[M]+ 209.04311 140.3
[M]- 209.04421 140.3
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.