CID 204997

Beta-butoxy-p-cyclopentyl-n,n-diethylphenethylamine hydrochloride

Structural Information

Molecular Formula
C21H35NO
SMILES
CCC(C)OC(CC1=CC=C(C=C1)C2CCCC2)N(CC)CC
InChI
InChI=1S/C21H35NO/c1-5-17(4)23-21(22(6-2)7-3)16-18-12-14-20(15-13-18)19-10-8-9-11-19/h12-15,17,19,21H,5-11,16H2,1-4H3
InChIKey
UNRUWLJSZZNQNM-UHFFFAOYSA-N
Compound name
1-butan-2-yloxy-2-(4-cyclopentylphenyl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.27185 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.279126 185.5
[M+Na]+ 340.261068 186.4
[M-H]- 316.264574 191.6
[M+NH4]+ 335.305673 201.5
[M+K]+ 356.235008 184.2
[M+H-H2O]+ 300.269110 177.0
[M+HCOO]- 362.270051 205.0
[M+CH3COO]- 376.285701 216.7
[M+Na-2H]- 338.246516 181.6
[M]+ 317.27130142 185.9
[M]- 317.27239858 185.9
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.