CID 53613696

3-[(4-aminophenyl)methyl]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1C(C(=O)NC1=O)CC2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N2O2/c12-9-3-1-7(2-4-9)5-8-6-10(14)13-11(8)15/h1-4,8H,5-6,12H2,(H,13,14,15)
InChIKey
IRBLPZOXJHHXGE-UHFFFAOYSA-N
Compound name
3-[(4-aminophenyl)methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 143.8
[M+Na]+ 227.079088 151.5
[M-H]- 203.082594 147.7
[M+NH4]+ 222.123693 162.1
[M+K]+ 243.053028 147.3
[M+H-H2O]+ 187.087130 136.9
[M+HCOO]- 249.088071 165.5
[M+CH3COO]- 263.103721 183.8
[M+Na-2H]- 225.064536 145.8
[M]+ 204.08932142 139.3
[M]- 204.09041858 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe