CID 66107815

4-(2,4-dimethylphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C12H15NO
SMILES
CC1=CC(=C(C=C1)C2CC(=O)NC2)C
InChI
InChI=1S/C12H15NO/c1-8-3-4-11(9(2)5-8)10-6-12(14)13-7-10/h3-5,10H,6-7H2,1-2H3,(H,13,14)
InChIKey
LTDPYBTUDZRLBQ-UHFFFAOYSA-N
Compound name
4-(2,4-dimethylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 143.2
[M+Na]+ 212.10459 155.7
[M+NH4]+ 207.14919 151.8
[M+K]+ 228.07853 150.7
[M-H]- 188.10809 146.2
[M+Na-2H]- 210.09004 149.4
[M]+ 189.11482 145.7
[M]- 189.11592 145.7
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.