CID 188987

(3s)-3-aminopyrrolidine-2,5-dione

Structural Information

Molecular Formula
C4H6N2O2
SMILES
C1C(C(=O)NC1=O)N
InChI
InChI=1S/C4H6N2O2/c5-2-1-3(7)6-4(2)8/h2H,1,5H2,(H,6,7,8)
InChIKey
YDNMHDRXNOHCJH-UHFFFAOYSA-N
Compound name
3-aminopyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

1865
Patents

114.04293 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.050206 119.5
[M+Na]+ 137.032148 127.9
[M-H]- 113.035654 120.3
[M+NH4]+ 132.076753 141.5
[M+K]+ 153.006088 126.3
[M+H-H2O]+ 97.040190 114.2
[M+HCOO]- 159.041131 141.9
[M+CH3COO]- 173.056781 165.8
[M+Na-2H]- 135.017596 123.5
[M]+ 114.04238142 114.4
[M]- 114.04347858 114.4
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