CID 201510

6139-26-0

Structural Information

Molecular Formula
C13H17NO
SMILES
CC(C)C1(CCC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-10(2)13(9-8-12(15)14-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15)
InChIKey
ZYFALOITZCONJI-UHFFFAOYSA-N
Compound name
5-phenyl-5-propan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 148.2
[M+Na]+ 226.12023 159.4
[M+NH4]+ 221.16483 157.9
[M+K]+ 242.09417 152.9
[M-H]- 202.12373 150.7
[M+Na-2H]- 224.10568 155.8
[M]+ 203.13046 150.5
[M]- 203.13156 150.5
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.