CID 3024934

5-benzyl-3-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C12H15NO
SMILES
CC1CC(NC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c1-9-7-11(13-12(9)14)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)
InChIKey
WPMFKCWRVDOCEC-UHFFFAOYSA-N
Compound name
5-benzyl-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 142.3
[M+Na]+ 212.10459 149.4
[M-H]- 188.10809 146.2
[M+NH4]+ 207.14919 161.8
[M+K]+ 228.07853 145.5
[M+H-H2O]+ 172.11263 135.5
[M+HCOO]- 234.11357 162.9
[M+CH3COO]- 248.12922 180.0
[M+Na-2H]- 210.09004 145.0
[M]+ 189.11482 138.7
[M]- 189.11592 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.