CID 3049979

Methylaminomethyl-3,3-diphenylcyclohexane hydrochloride

Structural Information

Molecular Formula
C20H25N
SMILES
CNCC1CCCC(C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25N/c1-21-16-17-9-8-14-20(15-17,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,21H,8-9,14-16H2,1H3
InChIKey
JLRVCIXAVQQMGF-UHFFFAOYSA-N
Compound name
1-(3,3-diphenylcyclohexyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1987 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20598 168.7
[M+Na]+ 302.18792 172.1
[M-H]- 278.19142 177.0
[M+NH4]+ 297.23252 185.4
[M+K]+ 318.16186 166.8
[M+H-H2O]+ 262.19596 159.5
[M+HCOO]- 324.19690 189.1
[M+CH3COO]- 338.21255 178.8
[M+Na-2H]- 300.17337 173.5
[M]+ 279.19815 162.7
[M]- 279.19925 162.7
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.