CID 11451824

85136-61-4

Structural Information

Molecular Formula

C₁₇H₃₂O₉

SMILES

C=CC(=O)OCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C17H32O9/c1-2-17(19)26-16-15-25-14-13-24-12-11-23-10-9-22-8-7-21-6-5-20-4-3-18/h2,18H,1,3-16H2

InChIKey

JBJPOMNMCVIYPK-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 380.20462 Da
Monoisotopic Mass: -0.9
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]+	381.211896	187.4
[M+Na]+	403.193838	204.2
[M-H]-	379.197344	192.0
[M+NH4]+	398.238443	201.8
[M+K]+	419.167778	189.3
[M+H-H2O]+	363.201880	179.2
[M+HCOO]-	425.202821	213.6
[M+CH3COO]-	439.218471	213.8
[M+Na-2H]-	401.179286	187.9
[M]+	380.20407142	200.5
[M]-	380.20516858	200.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe