1-myristoleoyl-3-oleoyl-sn-glycerol (C35H64O5)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCC/C=C\CCCCCCCC)O

InChI

InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,21,23,33,36H,3-15,18-20,22,24-32H2,1-2H3/b17-16-,23-21-/t33-/m1/s1

InChIKey

NOWVSMBZXVLEHP-MUPXWKMBSA-N

Compound name

[(2S)-2-hydroxy-3-[(Z)-tetradec-5-enoyl]oxypropyl] (Z)-octadec-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]+	565.482676	248.6
[M+Na]+	587.464618	254.5
[M-H]-	563.468124	236.4
[M+NH4]+	582.509223	251.2
[M+K]+	603.438558	254.8
[M+H-H2O]+	547.472660	249.0
[M+HCOO]-	609.473601	252.5
[M+CH3COO]-	623.489251	255.8
[M+Na-2H]-	585.450066	233.6
[M]+	564.47485142	247.8
[M]-	564.47594858	247.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

565.482676

248.6

[M+Na]+

587.464618

254.5

[M-H]-

563.468124

236.4

[M+NH4]+

582.509223

251.2

[M+K]+

603.438558

254.8

[M+H-H2O]+

547.472660

249.0

[M+HCOO]-

609.473601

252.5

[M+CH3COO]-

623.489251

255.8

[M+Na-2H]-

585.450066

233.6

[M]+

564.47485142

247.8

[M]-

564.47594858

247.8

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

1-myristoleoyl-3-oleoyl-sn-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe