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

1857
Patents

171.05316 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 132.9
[M+Na]+ 194.04238 140.8
[M-H]- 170.04588 133.9
[M+NH4]+ 189.08698 152.9
[M+K]+ 210.01632 139.7
[M+H-H2O]+ 154.05042 127.5
[M+HCOO]- 216.05136 153.5
[M+CH3COO]- 230.06701 174.9
[M+Na-2H]- 192.02783 135.0
[M]+ 171.05261 132.3
[M]- 171.05371 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