CID 3087702

2,5-pyrrolidinedione, 3-(4-cyclopropylphenyl)-

Structural Information

Molecular Formula
C13H13NO2
SMILES
C1CC1C2=CC=C(C=C2)C3CC(=O)NC3=O
InChI
InChI=1S/C13H13NO2/c15-12-7-11(13(16)14-12)10-5-3-9(4-6-10)8-1-2-8/h3-6,8,11H,1-2,7H2,(H,14,15,16)
InChIKey
CLKJTATXGDQUCK-UHFFFAOYSA-N
Compound name
3-(4-cyclopropylphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 146.4
[M+Na]+ 238.083858 156.1
[M-H]- 214.087364 154.4
[M+NH4]+ 233.128463 160.0
[M+K]+ 254.057798 150.8
[M+H-H2O]+ 198.091900 139.6
[M+HCOO]- 260.092841 167.5
[M+CH3COO]- 274.108491 187.3
[M+Na-2H]- 236.069306 148.5
[M]+ 215.09409142 145.6
[M]- 215.09518858 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.