PubChemLite - Decaglycerol (C30H62O21)

Structural Information

Molecular Formula

SMILES

C(C(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C30H62O21/c31-1-21(33)3-43-5-23(35)7-45-9-25(37)11-47-13-27(39)15-49-17-29(41)19-51-20-30(42)18-50-16-28(40)14-48-12-26(38)10-46-8-24(36)6-44-4-22(34)2-32/h21-42H,1-20H2

InChIKey

WOKDXPHSIQRTJF-UHFFFAOYSA-N

Compound name

3-[3-[3-[3-[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol

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]+	759.38564	240.8
[M+Na]+	781.36758	236.5
[M-H]-	757.37108	239.5
[M+NH4]+	776.41218	239.4
[M+K]+	797.34152	231.9
[M+H-H2O]+	741.37562	223.7
[M+HCOO]-	803.37656	241.1
[M+CH3COO]-	817.39221	264.3
[M+Na-2H]-	779.35303	264.1
[M]+	758.37781	244.0
[M]-	758.37891	244.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

759.38564

240.8

[M+Na]+

781.36758

236.5

[M-H]-

757.37108

239.5

[M+NH4]+

776.41218

239.4

[M+K]+

797.34152

231.9

[M+H-H2O]+

741.37562

223.7

[M+HCOO]-

803.37656

241.1

[M+CH3COO]-

817.39221

264.3

[M+Na-2H]-

779.35303

264.1

[M]+

758.37781

244.0

[M]-

758.37891

244.0

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

Decaglycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe