CID 3066834

Triethylamine, 2-((1-phenylcyclohexyl)oxy)-, hydrochloride

Structural Information

Molecular Formula
C18H29NO
SMILES
CCN(CC)CCOC1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C18H29NO/c1-3-19(4-2)15-16-20-18(13-9-6-10-14-18)17-11-7-5-8-12-17/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3
InChIKey
WKJUBQRWYGAUNH-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(1-phenylcyclohexyl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 169.8
[M+Na]+ 298.214118 171.7
[M-H]- 274.217624 175.9
[M+NH4]+ 293.258723 187.6
[M+K]+ 314.188058 169.7
[M+H-H2O]+ 258.222160 161.5
[M+HCOO]- 320.223101 190.3
[M+CH3COO]- 334.238751 204.9
[M+Na-2H]- 296.199566 173.2
[M]+ 275.22435142 168.2
[M]- 275.22544858 168.2
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.