CID 4122814

Sorbitan palmitate

Structural Information

Molecular Formula

C₂₂H₄₂O₆

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O

InChI

InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3

InChIKey

IYFATESGLOUGBX-UHFFFAOYSA-N

Compound name

[2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] hexadecanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 31
References: 65445
Patents: 402.29813 Da
Monoisotopic Mass: 5.8
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]+	403.30541	204.4
[M+Na]+	425.28735	207.6
[M+NH4]+	420.33195	206.6
[M+K]+	441.26129	205.5
[M-H]-	401.29085	201.8
[M+Na-2H]-	423.27280	199.7
[M]+	402.29758	203.3
[M]-	402.29868	203.3

Literature stripe

literature stripe

Patent stripe

patents stripe