CID 110620

18924-67-9

Structural Information

Molecular Formula

C₂₀H₄₃NO₂

SMILES

CCCCCCCCCCCCCCCCN(CCO)CCO

InChI

InChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-19-22)18-20-23/h22-23H,2-20H2,1H3

InChIKey

MJWIPTSHMLSLFE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1176
Patents: 329.32938 Da
Monoisotopic Mass: 6.6
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]+	330.336656	192.9
[M+Na]+	352.318598	192.6
[M-H]-	328.322104	189.0
[M+NH4]+	347.363203	206.0
[M+K]+	368.292538	189.2
[M+H-H2O]+	312.326640	185.3
[M+HCOO]-	374.327581	211.0
[M+CH3COO]-	388.343231	216.1
[M+Na-2H]-	350.304046	191.0
[M]+	329.32883142	199.0
[M]-	329.32992858	199.0

Literature stripe

literature stripe

Patent stripe

patents stripe