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 143.8
[M+Na]+ 227.07909 151.5
[M-H]- 203.08259 147.7
[M+NH4]+ 222.12369 162.1
[M+K]+ 243.05303 147.3
[M+H-H2O]+ 187.08713 136.9
[M+HCOO]- 249.08807 165.5
[M+CH3COO]- 263.10372 183.8
[M+Na-2H]- 225.06454 145.8
[M]+ 204.08932 139.3
[M]- 204.09042 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

No patent data available for this compound.