CID 303583

4-(2,5-dioxopyrrolidin-1-yl)butanoic acid

Structural Information

Molecular Formula
C8H11NO4
SMILES
C1CC(=O)N(C1=O)CCCC(=O)O
InChI
InChI=1S/C8H11NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h1-5H2,(H,12,13)
InChIKey
SIILHQSLHMQZQO-UHFFFAOYSA-N
Compound name
4-(2,5-dioxopyrrolidin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

126
Patents

185.0688 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 137.5
[M+Na]+ 208.05802 144.9
[M-H]- 184.06152 138.3
[M+NH4]+ 203.10262 157.0
[M+K]+ 224.03196 143.6
[M+H-H2O]+ 168.06606 131.9
[M+HCOO]- 230.06700 157.8
[M+CH3COO]- 244.08265 177.9
[M+Na-2H]- 206.04347 139.0
[M]+ 185.06825 137.3
[M]- 185.06935 137.3
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