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

0
Patents

204.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 145.3
[M+Na]+ 227.07909 155.8
[M+NH4]+ 222.12369 152.4
[M+K]+ 243.05303 152.2
[M-H]- 203.08259 147.4
[M+Na-2H]- 225.06454 150.3
[M]+ 204.08932 147.0
[M]- 204.09042 147.0
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

No patent data available for this compound.