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]+ 318.27913 181.1
[M+Na]+ 340.26107 184.2
[M-H]- 316.26457 187.8
[M+NH4]+ 335.30567 198.1
[M+K]+ 356.23501 182.1
[M+H-H2O]+ 300.26911 173.6
[M+HCOO]- 362.27005 199.0
[M+CH3COO]- 376.28570 215.9
[M+Na-2H]- 338.24652 182.7
[M]+ 317.27130 180.9
[M]- 317.27240 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.