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 160.6
[M+Na]+ 274.15662 165.0
[M-H]- 250.16012 168.9
[M+NH4]+ 269.20122 178.3
[M+K]+ 290.13056 159.8
[M+H-H2O]+ 234.16466 152.0
[M+HCOO]- 296.16560 181.2
[M+CH3COO]- 310.18125 171.4
[M+Na-2H]- 272.14207 165.5
[M]+ 251.16685 153.1
[M]- 251.16795 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.