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 185.5
[M+Na]+ 340.26107 186.4
[M-H]- 316.26457 191.6
[M+NH4]+ 335.30567 201.5
[M+K]+ 356.23501 184.2
[M+H-H2O]+ 300.26911 177.0
[M+HCOO]- 362.27005 205.0
[M+CH3COO]- 376.28570 216.7
[M+Na-2H]- 338.24652 181.6
[M]+ 317.27130 185.9
[M]- 317.27240 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.