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: 171
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]+	384.259196	189.0
[M+Na]+	406.241138	189.8
[M-H]-	382.244644	186.1
[M+NH4]+	401.285743	206.7
[M+K]+	422.215078	190.7
[M+H-H2O]+	366.249180	180.0
[M+HCOO]-	428.250121	220.6
[M+CH3COO]-	442.265771	220.1
[M+Na-2H]-	404.226586	190.5
[M]+	383.25137142	204.2
[M]-	383.25246858	204.2

Literature stripe

literature stripe

Patent stripe

patents stripe