CID 18401233

Quaternium-16

Structural Information

Molecular Formula

C₂₄H₅₂NO₃

SMILES

CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CCO

InChI

InChI=1S/C24H52NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-22-26,20-23-27)21-24-28/h26-28H,2-24H2,1H3/q+1

InChIKey

RVILXQYJKLGRKB-UHFFFAOYSA-N

Compound name

tris(2-hydroxyethyl)-octadecylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5166
Patents: 402.3947 Da
Monoisotopic Mass: 7.1
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]+	403.40198	211.1
[M+Na]+	425.38392	209.3
[M-H]-	401.38742	214.5
[M+NH4]+	420.42852	220.0
[M+K]+	441.35786	198.8
[M+H-H2O]+	385.39196	206.4
[M+HCOO]-	447.39290	239.0
[M+CH3COO]-	461.40855	220.2
[M+Na-2H]-	423.36937	211.5
[M]+	402.39415	224.1
[M]-	402.39525	224.1

Literature stripe

literature stripe

Patent stripe

patents stripe