CID 452643

119980-19-7

Structural Information

Molecular Formula

C₂₃H₅₀NO₂

SMILES

CCCCCCCCCCCCCCCCOCC[N+](C)(C)CCCO

InChI

InChI=1S/C23H50NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-23-20-24(2,3)19-18-21-25/h25H,4-23H2,1-3H3/q+1

InChIKey

IVTRZKIOYCOVRZ-UHFFFAOYSA-N

Compound name

2-hexadecoxyethyl-(3-hydroxypropyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 281
Patents: 372.38416 Da
Monoisotopic Mass: 7.6
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]+	373.39144	204.8
[M+Na]+	395.37338	204.5
[M-H]-	371.37688	202.3
[M+NH4]+	390.41798	220.1
[M+K]+	411.34732	195.4
[M+H-H2O]+	355.38142	200.0
[M+HCOO]-	417.38236	239.1
[M+CH3COO]-	431.39801	220.8
[M+Na-2H]-	393.35883	206.3
[M]+	372.38361	212.4
[M]-	372.38471	212.4

Literature stripe

literature stripe

Patent stripe

patents stripe