CID 174564

86674-95-5

Structural Information

Molecular Formula

C₁₆H₃₄O₆

SMILES

CCCCCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C16H34O6/c1-2-3-4-5-7-18-9-11-20-13-15-22-16-14-21-12-10-19-8-6-17/h17H,2-16H2,1H3

InChIKey

SCRHZMGASXVJSJ-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 791
Patents: 322.23553 Da
Monoisotopic Mass: 1.3
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]+	323.24281	180.2
[M+Na]+	345.22475	182.4
[M-H]-	321.22825	176.9
[M+NH4]+	340.26935	193.6
[M+K]+	361.19869	181.7
[M+H-H2O]+	305.23279	172.7
[M+HCOO]-	367.23373	200.5
[M+CH3COO]-	381.24938	206.3
[M+Na-2H]-	343.21020	181.8
[M]+	322.23498	192.1
[M]-	322.23608	192.1

Literature stripe

literature stripe

Patent stripe

patents stripe