CID 85895854

Schembl28457174

Structural Information

Molecular Formula

C₂₂H₄₇NO₂

SMILES

CCCCCCCCCCCCCCCCCCOCCOCCN

InChI

InChI=1S/C22H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h2-23H2,1H3

InChIKey

YKWOAABTUJLGQX-UHFFFAOYSA-N

Compound name

2-(2-octadecoxyethoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 357.3607 Da
Monoisotopic Mass: 7.9
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	200.2
[M+Na]+	380.349918	199.8
[M-H]-	356.353424	196.7
[M+NH4]+	375.394523	212.7
[M+K]+	396.323858	195.9
[M+H-H2O]+	340.357960	191.9
[M+HCOO]-	402.358901	219.5
[M+CH3COO]-	416.374551	223.3
[M+Na-2H]-	378.335366	198.0
[M]+	357.36015142	208.6
[M]-	357.36124858	208.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe