CID 245861

3-(2,5-dioxopyrrolidin-1-yl)propanoic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1CC(=O)N(C1=O)CCC(=O)O
InChI
InChI=1S/C7H9NO4/c9-5-1-2-6(10)8(5)4-3-7(11)12/h1-4H2,(H,11,12)
InChIKey
DPISPNNORVOBQY-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1924
Patents

171.05316 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 132.9
[M+Na]+ 194.042378 140.8
[M-H]- 170.045884 133.9
[M+NH4]+ 189.086983 152.9
[M+K]+ 210.016318 139.7
[M+H-H2O]+ 154.050420 127.5
[M+HCOO]- 216.051361 153.5
[M+CH3COO]- 230.067011 174.9
[M+Na-2H]- 192.027826 135.0
[M]+ 171.05261142 132.3
[M]- 171.05370858 132.3
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