CID 19018226

2-(2,5-dioxopyrrolidin-1-yl)butanoic acid

Structural Information

Molecular Formula
C8H11NO4
SMILES
CCC(C(=O)O)N1C(=O)CCC1=O
InChI
InChI=1S/C8H11NO4/c1-2-5(8(12)13)9-6(10)3-4-7(9)11/h5H,2-4H2,1H3,(H,12,13)
InChIKey
ZDNGLXCKYXBSRI-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrolidin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

185.0688 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.076076 137.5
[M+Na]+ 208.058018 144.7
[M-H]- 184.061524 138.4
[M+NH4]+ 203.102623 156.9
[M+K]+ 224.031958 143.9
[M+H-H2O]+ 168.066060 132.1
[M+HCOO]- 230.067001 156.8
[M+CH3COO]- 244.082651 178.8
[M+Na-2H]- 206.043466 137.9
[M]+ 185.06825142 136.6
[M]- 185.06934858 136.6
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