CID 23639

3-cyclohexyl-3-phenylazetidine

Structural Information

Molecular Formula
C15H21N
SMILES
C1CCC(CC1)C2(CNC2)C3=CC=CC=C3
InChI
InChI=1S/C15H21N/c1-3-7-13(8-4-1)15(11-16-12-15)14-9-5-2-6-10-14/h1,3-4,7-8,14,16H,2,5-6,9-12H2
InChIKey
UNXCICLOVBMXLL-UHFFFAOYSA-N
Compound name
3-cyclohexyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.174676 148.7
[M+Na]+ 238.156618 151.3
[M-H]- 214.160124 154.1
[M+NH4]+ 233.201223 160.0
[M+K]+ 254.130558 150.1
[M+H-H2O]+ 198.164660 135.9
[M+HCOO]- 260.165601 164.2
[M+CH3COO]- 274.181251 158.6
[M+Na-2H]- 236.142066 153.5
[M]+ 215.16685142 148.7
[M]- 215.16794858 148.7
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.