CID 214803

2-((2-tert-butyl-1-o-tolylcyclohexyl)oxy)-n,n-dimethylethylamine

Structural Information

Molecular Formula
C21H35NO
SMILES
CC1=CC=CC=C1C2(CCCCC2C(C)(C)C)OCCN(C)C
InChI
InChI=1S/C21H35NO/c1-17-11-7-8-12-18(17)21(23-16-15-22(5)6)14-10-9-13-19(21)20(2,3)4/h7-8,11-12,19H,9-10,13-16H2,1-6H3
InChIKey
LXMWLQWXFMGJJW-UHFFFAOYSA-N
Compound name
2-[2-tert-butyl-1-(2-methylphenyl)cyclohexyl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.27185 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.279126 181.1
[M+Na]+ 340.261068 184.2
[M-H]- 316.264574 187.8
[M+NH4]+ 335.305673 198.1
[M+K]+ 356.235008 182.1
[M+H-H2O]+ 300.269110 173.6
[M+HCOO]- 362.270051 199.0
[M+CH3COO]- 376.285701 215.9
[M+Na-2H]- 338.246516 182.7
[M]+ 317.27130142 180.9
[M]- 317.27239858 180.9
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.