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]+ 318.27913 183.9
[M+Na]+ 340.26107 192.6
[M+NH4]+ 335.30567 191.8
[M+K]+ 356.23501 187.1
[M-H]- 316.26457 188.1
[M+Na-2H]- 338.24652 188.6
[M]+ 317.27130 186.1
[M]- 317.27240 186.1
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.