CID 43155349

3-methyl-3-[4-(propan-2-yl)phenyl]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C14H17NO2
SMILES
CC(C)C1=CC=C(C=C1)C2(CC(=O)NC2=O)C
InChI
InChI=1S/C14H17NO2/c1-9(2)10-4-6-11(7-5-10)14(3)8-12(16)15-13(14)17/h4-7,9H,8H2,1-3H3,(H,15,16,17)
InChIKey
QYDFHSLIPPLNND-UHFFFAOYSA-N
Compound name
3-methyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 151.7
[M+Na]+ 254.11515 159.8
[M-H]- 230.11865 156.2
[M+NH4]+ 249.15975 171.7
[M+K]+ 270.08909 156.1
[M+H-H2O]+ 214.12319 145.8
[M+HCOO]- 276.12413 171.1
[M+CH3COO]- 290.13978 188.9
[M+Na-2H]- 252.10060 152.9
[M]+ 231.12538 149.7
[M]- 231.12648 149.7
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.