PubChemLite - 41428-58-4 (C30H59O10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C30H59O10P/c1-3-5-7-9-11-13-15-17-19-21-29(33)37-25-28(26-39-41(35,36)38-24-27(32)23-31)40-30(34)22-20-18-16-14-12-10-8-6-4-2/h27-28,31-32H,3-26H2,1-2H3,(H,35,36)/t27-,28+/m0/s1

InChIKey

LHCZDUCPSRJDJT-WUFINQPMSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-dodecanoyloxypropyl] dodecanoate

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	250.6
[M+Na]+	633.37382	251.0
[M-H]-	609.37732	244.5
[M+NH4]+	628.41842	255.2
[M+K]+	649.34776	250.6
[M+H-H2O]+	593.38186	241.4
[M+HCOO]-	655.38280	250.3
[M+CH3COO]-	669.39845	256.3
[M+Na-2H]-	631.35927	231.5
[M]+	610.38405	248.6
[M]-	610.38515	248.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

611.39188

250.6

[M+Na]+

633.37382

251.0

[M-H]-

609.37732

244.5

[M+NH4]+

628.41842

255.2

[M+K]+

649.34776

250.6

[M+H-H2O]+

593.38186

241.4

[M+HCOO]-

655.38280

250.3

[M+CH3COO]-

669.39845

256.3

[M+Na-2H]-

631.35927

231.5

[M]+

610.38405

248.6

[M]-

610.38515

248.6

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

41428-58-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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