PubChemLite - Pg(i-12:0/i-12:0) (C30H59O10P)

Structural Information

Molecular Formula

SMILES

CC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC(C)C

InChI

InChI=1S/C30H59O10P/c1-25(2)17-13-9-5-7-11-15-19-29(33)37-23-28(24-39-41(35,36)38-22-27(32)21-31)40-30(34)20-16-12-8-6-10-14-18-26(3)4/h25-28,31-32H,5-24H2,1-4H3,(H,35,36)/t27-,28+/m0/s1

InChIKey

UJHLPGHQDFRRBW-WUFINQPMSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(10-methylundecanoyloxy)propyl] 10-methylundecanoate

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]+	611.39188	249.8
[M+Na]+	633.37382	251.1
[M-H]-	609.37732	246.6
[M+NH4]+	628.41842	257.5
[M+K]+	649.34776	251.9
[M+H-H2O]+	593.38186	241.7
[M+HCOO]-	655.38280	244.7
[M+CH3COO]-	669.39845	257.8
[M+Na-2H]-	631.35927	232.1
[M]+	610.38405	248.5
[M]-	610.38515	248.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

611.39188

249.8

[M+Na]+

633.37382

251.1

[M-H]-

609.37732

246.6

[M+NH4]+

628.41842

257.5

[M+K]+

649.34776

251.9

[M+H-H2O]+

593.38186

241.7

[M+HCOO]-

655.38280

244.7

[M+CH3COO]-

669.39845

257.8

[M+Na-2H]-

631.35927

232.1

[M]+

610.38405

248.5

[M]-

610.38515

248.5

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

Pg(i-12:0/i-12:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe