CID 132343725

2137958-17-7

Structural Information

Molecular Formula
C14H19NO
SMILES
CC(C)C1CC(=O)CN1CC2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c1-11(2)14-8-13(16)10-15(14)9-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3
InChIKey
WYLPOMVDDGPWIQ-UHFFFAOYSA-N
Compound name
1-benzyl-5-propan-2-ylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 151.1
[M+Na]+ 240.13589 157.4
[M-H]- 216.13939 156.1
[M+NH4]+ 235.18049 170.1
[M+K]+ 256.10983 154.5
[M+H-H2O]+ 200.14393 143.8
[M+HCOO]- 262.14487 171.5
[M+CH3COO]- 276.16052 189.5
[M+Na-2H]- 238.12134 152.0
[M]+ 217.14612 149.5
[M]- 217.14722 149.5
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.