CID 3044084

3,3-diphenylcyclohexylamine hydrochloride

Structural Information

Molecular Formula
C18H21N
SMILES
C1CC(CC(C1)(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C18H21N/c19-17-12-7-13-18(14-17,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14,19H2
InChIKey
CRUIVVWRUULVQG-UHFFFAOYSA-N
Compound name
3,3-diphenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.174676 160.6
[M+Na]+ 274.156618 165.0
[M-H]- 250.160124 168.9
[M+NH4]+ 269.201223 178.3
[M+K]+ 290.130558 159.8
[M+H-H2O]+ 234.164660 152.0
[M+HCOO]- 296.165601 181.2
[M+CH3COO]- 310.181251 171.4
[M+Na-2H]- 272.142066 165.5
[M]+ 251.16685142 153.1
[M]- 251.16794858 153.1
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.