CID 28715

3-butyl-3-phenylazetidin-2-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CCCCC1(CNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-2-3-9-13(10-14-12(13)15)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,14,15)
InChIKey
KYWUFESZSCDFSH-UHFFFAOYSA-N
Compound name
3-butyl-3-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.8
[M+Na]+ 226.12023 153.9
[M+NH4]+ 221.16483 151.4
[M+K]+ 242.09417 146.8
[M-H]- 202.12373 145.8
[M+Na-2H]- 224.10568 151.8
[M]+ 203.13046 145.9
[M]- 203.13156 145.9
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.