CID 51340963

869718-81-0

Structural Information

Molecular Formula

C₁₇H₃₇NO₈

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCN

InChI

InChI=1S/C17H37NO8/c1-19-4-5-21-8-9-23-12-13-25-16-17-26-15-14-24-11-10-22-7-6-20-3-2-18/h2-18H2,1H3

InChIKey

YXWBFPPGROXJLL-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 183
Patents: 383.25192 Da
Monoisotopic Mass: -1.9
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]+	384.25920	192.4
[M+Na]+	406.24114	196.2
[M+NH4]+	401.28574	212.2
[M+K]+	422.21508	210.2
[M-H]-	382.24464	200.6
[M+Na-2H]-	404.22659	190.3
[M]+	383.25137	191.0
[M]-	383.25247	191.0

Literature stripe

literature stripe

Patent stripe

patents stripe