CID 161760

3-(4-amino-phenyl)-pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H10N2O2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-4,8H,5,11H2,(H,12,13,14)
InChIKey
AFLGSUFOCCZEEZ-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

190.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 139.3
[M+Na]+ 213.06345 147.5
[M-H]- 189.06695 143.4
[M+NH4]+ 208.10805 158.2
[M+K]+ 229.03739 143.5
[M+H-H2O]+ 173.07149 132.6
[M+HCOO]- 235.07243 161.3
[M+CH3COO]- 249.08808 180.8
[M+Na-2H]- 211.04890 141.8
[M]+ 190.07368 134.4
[M]- 190.07478 134.4
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