CID 30702

1-(4-tert-butyl-1-phenylcyclohexyl)dimethylamine, hydrochloride

Structural Information

Molecular Formula
C18H29N
SMILES
CC(C)(C)C1CCC(CC1)(CNC)C2=CC=CC=C2
InChI
InChI=1S/C18H29N/c1-17(2,3)15-10-12-18(13-11-15,14-19-4)16-8-6-5-7-9-16/h5-9,15,19H,10-14H2,1-4H3
InChIKey
DIBFBKIVAZXGPG-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-1-phenylcyclohexyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.23 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.23728 165.5
[M+Na]+ 282.21922 169.0
[M-H]- 258.22272 171.0
[M+NH4]+ 277.26382 184.0
[M+K]+ 298.19316 165.5
[M+H-H2O]+ 242.22726 158.7
[M+HCOO]- 304.22820 183.8
[M+CH3COO]- 318.24385 200.4
[M+Na-2H]- 280.20467 169.9
[M]+ 259.22945 161.2
[M]- 259.23055 161.2
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.