PubChemLite - Einecs 308-101-4 (C34H68O15)

Structural Information

Molecular Formula

SMILES

CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C34H68O15/c1-3-5-6-33(4-2)34(36)49-32-31-48-30-29-47-28-27-46-26-25-45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-10-9-37-8-7-35/h33,35H,3-32H2,1-2H3

InChIKey

MQKARDMXRPKLSF-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate

Related CIDs

2D Structure

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]+	717.46308	289.8
[M+Na]+	739.44502	287.9
[M-H]-	715.44852	280.2
[M+NH4]+	734.48962	297.1
[M+K]+	755.41896	287.6
[M+H-H2O]+	699.45306	290.5
[M+HCOO]-	761.45400	292.9
[M+CH3COO]-	775.46965	272.4
[M+Na-2H]-	737.43047	268.2
[M]+	716.45525	293.1
[M]-	716.45635	293.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

717.46308

289.8

[M+Na]+

739.44502

287.9

[M-H]-

715.44852

280.2

[M+NH4]+

734.48962

297.1

[M+K]+

755.41896

287.6

[M+H-H2O]+

699.45306

290.5

[M+HCOO]-

761.45400

292.9

[M+CH3COO]-

775.46965

272.4

[M+Na-2H]-

737.43047

268.2

[M]+

716.45525

293.1

[M]-

716.45635

293.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Einecs 308-101-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe