CID 16772778

1-[(4-aminophenyl)methyl]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1CC(=O)N(C1=O)CC2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N2O2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7,12H2
InChIKey
NOQQYOLOKNTPKK-UHFFFAOYSA-N
Compound name
1-[(4-aminophenyl)methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

204.08987 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 143.2
[M+Na]+ 227.079088 151.3
[M-H]- 203.082594 148.5
[M+NH4]+ 222.123693 162.2
[M+K]+ 243.053028 148.1
[M+H-H2O]+ 187.087130 136.1
[M+HCOO]- 249.088071 166.4
[M+CH3COO]- 263.103721 186.3
[M+Na-2H]- 225.064536 145.7
[M]+ 204.08932142 140.5
[M]- 204.09041858 140.5
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