CID 122354

2,5-dioxopyrrolidin-1-yl propanoate

Structural Information

Molecular Formula
C7H9NO4
SMILES
CCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C7H9NO4/c1-2-7(11)12-8-5(9)3-4-6(8)10/h2-4H2,1H3
InChIKey
AASBXERNXVFUEJ-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

11457
Patents

171.05316 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 132.0
[M+Na]+ 194.04238 140.5
[M-H]- 170.04588 134.5
[M+NH4]+ 189.08698 152.9
[M+K]+ 210.01632 140.3
[M+H-H2O]+ 154.05042 126.5
[M+HCOO]- 216.05136 154.2
[M+CH3COO]- 230.06701 176.7
[M+Na-2H]- 192.02783 134.7
[M]+ 171.05261 133.3
[M]- 171.05371 133.3
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