CID 139596492

Ns00095465

Structural Information

Molecular Formula

C₁₇H₃₇NO₈

SMILES

CN(CCO)CCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C17H37NO8/c1-18(2-4-19)3-6-21-8-10-23-12-14-25-16-17-26-15-13-24-11-9-22-7-5-20/h19-20H,2-17H2,1H3

InChIKey

OUTHKTBEVOONNF-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 383.25192 Da
Monoisotopic Mass: -2.0
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]+	384.259196	190.5
[M+Na]+	406.241138	190.6
[M-H]-	382.244644	203.3
[M+NH4]+	401.285743	210.7
[M+K]+	422.215078	191.6
[M+H-H2O]+	366.249180	181.8
[M+HCOO]-	428.250121	221.0
[M+CH3COO]-	442.265771	219.1
[M+Na-2H]-	404.226586	191.2
[M]+	383.25137142	204.1
[M]-	383.25246858	204.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.