CID 52684

73855-95-5

Structural Information

Molecular Formula
C12H15NO
SMILES
CCC1(CNC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c1-2-12(9-13-11(12)14)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKey
UWPKFNZGDCDBHX-UHFFFAOYSA-N
Compound name
3-benzyl-3-ethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.3
[M+Na]+ 212.10459 149.6
[M+NH4]+ 207.14919 147.1
[M+K]+ 228.07853 142.8
[M-H]- 188.10809 141.3
[M+Na-2H]- 210.09004 147.6
[M]+ 189.11482 141.4
[M]- 189.11592 141.4
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.