CID 20059462

53716-44-2

Structural Information

Molecular Formula

C₂₀H₃₇NO₃

SMILES

CCN(CC)CC(C)OC(=O)C1CCCCC1(C2CCCCC2)O

InChI

InChI=1S/C20H37NO3/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h16-18,23H,4-15H2,1-3H3

InChIKey

XPYLKZZOBVLVHB-UHFFFAOYSA-N

Compound name

1-(diethylamino)propan-2-yl 2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 31
References: 1214
Patents: 339.27734 Da
Monoisotopic Mass: 4.8
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]+	340.28462	187.9
[M+Na]+	362.26656	186.0
[M-H]-	338.27006	191.4
[M+NH4]+	357.31116	202.0
[M+K]+	378.24050	185.1
[M+H-H2O]+	322.27460	180.3
[M+HCOO]-	384.27554	200.2
[M+CH3COO]-	398.29119	215.1
[M+Na-2H]-	360.25201	184.1
[M]+	339.27679	182.1
[M]-	339.27789	182.1

Literature stripe

literature stripe

Patent stripe

patents stripe