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]+ 252.17468 162.4
[M+Na]+ 274.15662 176.8
[M+NH4]+ 269.20122 174.3
[M+K]+ 290.13056 165.3
[M-H]- 250.16012 170.9
[M+Na-2H]- 272.14207 175.0
[M]+ 251.16685 167.2
[M]- 251.16795 167.2
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.