CID 13596072

3-(4-aminophenyl)-3-methylpyrrolidine-2,5-dione hydrochloride

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1(CC(=O)NC1=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N2O2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6,12H2,1H3,(H,13,14,15)
InChIKey
MAUIJSRGENXQBY-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-3-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

204.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 142.9
[M+Na]+ 227.079088 151.7
[M-H]- 203.082594 147.2
[M+NH4]+ 222.123693 163.3
[M+K]+ 243.053028 147.7
[M+H-H2O]+ 187.087130 136.9
[M+HCOO]- 249.088071 164.7
[M+CH3COO]- 263.103721 183.4
[M+Na-2H]- 225.064536 146.2
[M]+ 204.08932142 138.8
[M]- 204.09041858 138.8
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