PubChemLite - Sorbitan monostearate (C24H46O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC([C@@H]1[C@H]([C@@H](CO1)O)O)O

InChI

InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3/t20-,21?,23+,24-/m1/s1

InChIKey

HVUMOYIDDBPOLL-IIZJTUPISA-N

Compound name

[2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate

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]+	431.33672	212.9
[M+Na]+	453.31866	215.7
[M+NH4]+	448.36326	214.8
[M+K]+	469.29260	213.2
[M-H]-	429.32216	210.3
[M+Na-2H]-	451.30411	207.8
[M]+	430.32889	211.8
[M]-	430.32999	211.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

431.33672

212.9

[M+Na]+

453.31866

215.7

[M+NH4]+

448.36326

214.8

[M+K]+

469.29260

213.2

[M-H]-

429.32216

210.3

[M+Na-2H]-

451.30411

207.8

[M]+

430.32889

211.8

[M]-

430.32999

211.8

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

Sorbitan monostearate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe