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]+ 216.17468 148.7
[M+Na]+ 238.15662 151.3
[M-H]- 214.16012 154.1
[M+NH4]+ 233.20122 160.0
[M+K]+ 254.13056 150.1
[M+H-H2O]+ 198.16466 135.9
[M+HCOO]- 260.16560 164.2
[M+CH3COO]- 274.18125 158.6
[M+Na-2H]- 236.14207 153.5
[M]+ 215.16685 148.7
[M]- 215.16795 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.