PubChemLite - 1,2-di-(9z-hexadecenoyl)-sn-glycerol (C35H64O5)

Structural Information

Molecular Formula

SMILES

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36H,3-12,17-32H2,1-2H3/b15-13-,16-14-/t33-/m0/s1

InChIKey

HSQHRRHRYJNSOC-DWCRPSDDSA-N

Compound name

[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-hydroxypropyl] (Z)-hexadec-9-enoate

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]+	565.48268	251.4
[M+Na]+	587.46462	252.8
[M+NH4]+	582.50922	252.0
[M+K]+	603.43856	252.2
[M-H]-	563.46812	238.4
[M+Na-2H]-	585.45007	251.2
[M]+	564.47485	248.1
[M]-	564.47595	248.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

565.48268

251.4

[M+Na]+

587.46462

252.8

[M+NH4]+

582.50922

252.0

[M+K]+

603.43856

252.2

[M-H]-

563.46812

238.4

[M+Na-2H]-

585.45007

251.2

[M]+

564.47485

248.1

[M]-

564.47595

248.1

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

1,2-di-(9z-hexadecenoyl)-sn-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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