CID 4550118

296274-64-1

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCC1=CC=C(C=C1)NCN2C(=O)CCC2=O
InChI
InChI=1S/C13H16N2O2/c1-2-10-3-5-11(6-4-10)14-9-15-12(16)7-8-13(15)17/h3-6,14H,2,7-9H2,1H3
InChIKey
JSDUITQKDZCWDK-UHFFFAOYSA-N
Compound name
1-[(4-ethylanilino)methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.7
[M+Na]+ 255.11041 159.0
[M-H]- 231.11391 157.2
[M+NH4]+ 250.15501 169.9
[M+K]+ 271.08435 155.6
[M+H-H2O]+ 215.11845 144.2
[M+HCOO]- 277.11939 174.9
[M+CH3COO]- 291.13504 193.0
[M+Na-2H]- 253.09586 154.2
[M]+ 232.12064 150.8
[M]- 232.12174 150.8
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.