CID 3044133

Cyclohexylamine, 4,4-diphenyl-n,n,1-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C21H27N
SMILES
CC1(CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)N(C)C
InChI
InChI=1S/C21H27N/c1-20(22(2)3)14-16-21(17-15-20,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
InChIKey
XCYJFRPGTIYURQ-UHFFFAOYSA-N
Compound name
N,N,1-trimethyl-4,4-diphenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.221636 173.1
[M+Na]+ 316.203578 177.2
[M-H]- 292.207084 183.1
[M+NH4]+ 311.248183 191.9
[M+K]+ 332.177518 173.5
[M+H-H2O]+ 276.211620 163.8
[M+HCOO]- 338.212561 193.7
[M+CH3COO]- 352.228211 183.8
[M+Na-2H]- 314.189026 177.4
[M]+ 293.21381142 169.1
[M]- 293.21490858 169.1
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.