CID 2770225

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

Structural Information

Molecular Formula
C7H9NO4
SMILES
CC(C(=O)O)N1C(=O)CCC1=O
InChI
InChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h4H,2-3H2,1H3,(H,11,12)
InChIKey
DCESWPKOLYIMNH-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2266
Patents

171.05316 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 132.8
[M+Na]+ 194.042378 140.5
[M-H]- 170.045884 134.0
[M+NH4]+ 189.086983 152.8
[M+K]+ 210.016318 139.9
[M+H-H2O]+ 154.050420 127.6
[M+HCOO]- 216.051361 152.5
[M+CH3COO]- 230.067011 175.8
[M+Na-2H]- 192.027826 133.8
[M]+ 171.05261142 131.6
[M]- 171.05370858 131.6
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