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]+ 332.29478 185.6
[M+Na]+ 354.27672 188.3
[M-H]- 330.28022 192.1
[M+NH4]+ 349.32132 202.0
[M+K]+ 370.25066 186.0
[M+H-H2O]+ 314.28476 178.0
[M+HCOO]- 376.28570 203.1
[M+CH3COO]- 390.30135 218.9
[M+Na-2H]- 352.26217 186.6
[M]+ 331.28695 185.7
[M]- 331.28805 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.