CID 17786810

Lpa 21:0

Structural Information

Molecular Formula

C₂₄H₄₉O₇P

SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O

InChI

InChI=1S/C24H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)30-21-23(25)22-31-32(27,28)29/h23,25H,2-22H2,1H3,(H2,27,28,29)

InChIKey

SPXKINNONQHLLM-UHFFFAOYSA-N

Compound name

(2-hydroxy-3-phosphonooxypropyl) henicosanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
Patents: 480.3216 Da
Monoisotopic Mass: 7.8
XlogP (predicted)

Profile

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]+	481.32888	220.3
[M+Na]+	503.31082	221.8
[M-H]-	479.31432	210.8
[M+NH4]+	498.35542	219.5
[M+K]+	519.28476	218.7
[M+H-H2O]+	463.31886	210.3
[M+HCOO]-	525.31980	226.7
[M+CH3COO]-	539.33545	233.5
[M+Na-2H]-	501.29627	203.7
[M]+	480.32105	216.8
[M]-	480.32215	216.8

Literature stripe

literature stripe

Patent stripe

patents stripe