Tracylglycerol(18:0/15:0/24:0) (C60H116O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC

InChI

InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1

InChIKey

WVTPRTFKNCGDMB-SMWREMLRSA-N

Compound name

[(2S)-3-octadecanoyloxy-2-pentadecanoyloxypropyl] tetracosanoate

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]+	933.884476	334.0
[M+Na]+	955.866418	336.2
[M-H]-	931.869924	314.4
[M+NH4]+	950.911023	340.8
[M+K]+	971.840358	347.5
[M+H-H2O]+	915.874460	333.8
[M+HCOO]-	977.875401	327.1
[M+CH3COO]-	991.891051	326.0
[M+Na-2H]-	953.851866	309.8
[M]+	932.87665142	336.5
[M]-	932.87774858	336.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

933.884476

334.0

[M+Na]+

955.866418

336.2

[M-H]-

931.869924

314.4

[M+NH4]+

950.911023

340.8

[M+K]+

971.840358

347.5

[M+H-H2O]+

915.874460

333.8

[M+HCOO]-

977.875401

327.1

[M+CH3COO]-

991.891051

326.0

[M+Na-2H]-

953.851866

309.8

[M]+

932.87665142

336.5

[M]-

932.87774858

336.5

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

Tracylglycerol(18:0/15:0/24:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe