CID 26755

Ethylamine, 2-((2-tert-butyl-1-(o-ethylphenyl)cyclohexyl)oxy)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C22H37NO
SMILES
CCC1=CC=CC=C1C2(CCCCC2C(C)(C)C)OCCN(C)C
InChI
InChI=1S/C22H37NO/c1-7-18-12-8-9-13-19(18)22(24-17-16-23(5)6)15-11-10-14-20(22)21(2,3)4/h8-9,12-13,20H,7,10-11,14-17H2,1-6H3
InChIKey
PANKXQREVRQAJX-UHFFFAOYSA-N
Compound name
2-[2-tert-butyl-1-(2-ethylphenyl)cyclohexyl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.2875 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.294776 185.6
[M+Na]+ 354.276718 188.3
[M-H]- 330.280224 192.1
[M+NH4]+ 349.321323 202.0
[M+K]+ 370.250658 186.0
[M+H-H2O]+ 314.284760 178.0
[M+HCOO]- 376.285701 203.1
[M+CH3COO]- 390.301351 218.9
[M+Na-2H]- 352.262166 186.6
[M]+ 331.28695142 185.7
[M]- 331.28804858 185.7
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.