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]+ 190.122646 141.9
[M+Na]+ 212.104588 150.0
[M-H]- 188.108094 146.2
[M+NH4]+ 207.149193 161.7
[M+K]+ 228.078528 146.1
[M+H-H2O]+ 172.112630 135.5
[M+HCOO]- 234.113571 162.5
[M+CH3COO]- 248.129221 181.2
[M+Na-2H]- 210.090036 143.9
[M]+ 189.11482142 138.7
[M]- 189.11591858 138.7
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.