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]+ 294.22164 174.2
[M+Na]+ 316.20358 188.5
[M+NH4]+ 311.24818 187.4
[M+K]+ 332.17752 175.0
[M-H]- 292.20708 183.0
[M+Na-2H]- 314.18903 188.2
[M]+ 293.21381 179.3
[M]- 293.21491 179.3
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.