CID 61494

Stearyldiethanolamine

Structural Information

Molecular Formula

C₂₂H₄₇NO₂

SMILES

CCCCCCCCCCCCCCCCCCN(CCO)CCO

InChI

InChI=1S/C22H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h24-25H,2-22H2,1H3

InChIKey

NDLNTMNRNCENRZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 6521
Patents: 357.3607 Da
Monoisotopic Mass: 7.7
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]+	358.367976	201.6
[M+Na]+	380.349918	200.5
[M-H]-	356.353424	197.2
[M+NH4]+	375.394523	213.5
[M+K]+	396.323858	196.6
[M+H-H2O]+	340.357960	193.5
[M+HCOO]-	402.358901	219.0
[M+CH3COO]-	416.374551	222.0
[M+Na-2H]-	378.335366	198.6
[M]+	357.36015142	208.4
[M]-	357.36124858	208.4

Literature stripe

literature stripe

Patent stripe

patents stripe