CID 20587

4500-29-2

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

C1CCC(CC1)N(CCO)CCO

InChI

InChI=1S/C10H21NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h10,12-13H,1-9H2

InChIKey

HHPDFYDITNAMAM-UHFFFAOYSA-N

Compound name

2-[cyclohexyl(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 8591
Patents: 187.15723 Da
Monoisotopic Mass: 0.7
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]+	188.16451	145.1
[M+Na]+	210.14645	147.2
[M-H]-	186.14995	145.8
[M+NH4]+	205.19105	163.3
[M+K]+	226.12039	146.3
[M+H-H2O]+	170.15449	138.8
[M+HCOO]-	232.15543	163.8
[M+CH3COO]-	246.17108	182.6
[M+Na-2H]-	208.13190	148.2
[M]+	187.15668	140.6
[M]-	187.15778	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe