PubChemLite - Slbpa(42:0) (C48H93O11P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O

InChI

InChI=1S/C48H93O11P/c1-4-7-10-13-16-19-22-25-28-31-34-37-46(50)55-40-44(49)41-57-60(53,54)58-43-45(59-48(52)39-36-33-30-27-24-21-18-15-12-9-6-3)42-56-47(51)38-35-32-29-26-23-20-17-14-11-8-5-2/h44-45,49H,4-43H2,1-3H3,(H,53,54)/t44-,45-/m0/s1

InChIKey

HLSZVIULNVUBQI-GSVOJQHPSA-N

Compound name

[(2S)-3-[[(2S)-2,3-di(tetradecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] tetradecanoate

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]+	877.65285	314.3
[M+Na]+	899.63479	313.2
[M-H]-	875.63829	304.7
[M+NH4]+	894.67939	323.7
[M+K]+	915.60873	320.2
[M+H-H2O]+	859.64283	305.2
[M+HCOO]-	921.64377	306.8
[M+CH3COO]-	935.65942	306.2
[M+Na-2H]-	897.62024	289.4
[M]+	876.64502	316.8
[M]-	876.64612	316.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

877.65285

314.3

[M+Na]+

899.63479

313.2

[M-H]-

875.63829

304.7

[M+NH4]+

894.67939

323.7

[M+K]+

915.60873

320.2

[M+H-H2O]+

859.64283

305.2

[M+HCOO]-

921.64377

306.8

[M+CH3COO]-

935.65942

306.2

[M+Na-2H]-

897.62024

289.4

[M]+

876.64502

316.8

[M]-

876.64612

316.8

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

Slbpa(42:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe