CID 71236

Dopropidil

Structural Information

Molecular Formula

C₂₀H₃₅NO₂

SMILES

CC#CC1(CCCCC1)OCC(COCC(C)C)N2CCCC2

InChI

InChI=1S/C20H35NO2/c1-4-10-20(11-6-5-7-12-20)23-17-19(16-22-15-18(2)3)21-13-8-9-14-21/h18-19H,5-9,11-17H2,1-3H3

InChIKey

FITWYAUFKJXWPL-UHFFFAOYSA-N

Compound name

1-[1-(2-methylpropoxy)-3-(1-prop-1-ynylcyclohexyl)oxypropan-2-yl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 176
Patents: 321.26678 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.27406	179.8
[M+Na]+	344.25600	183.3
[M-H]-	320.25950	180.7
[M+NH4]+	339.30060	193.8
[M+K]+	360.22994	177.3
[M+H-H2O]+	304.26404	165.8
[M+HCOO]-	366.26498	188.3
[M+CH3COO]-	380.28063	212.5
[M+Na-2H]-	342.24145	176.1
[M]+	321.26623	171.3
[M]-	321.26733	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe