CID 17786733

Lysopa(8:0/0:0)

Structural Information

Molecular Formula

C₁₁H₂₃O₇P

SMILES

CCCCCCCC(=O)OCC(COP(=O)(O)O)O

InChI

InChI=1S/C11H23O7P/c1-2-3-4-5-6-7-11(13)17-8-10(12)9-18-19(14,15)16/h10,12H,2-9H2,1H3,(H2,14,15,16)

InChIKey

VOEQFNGSVZKIOT-UHFFFAOYSA-N

Compound name

(2-hydroxy-3-phosphonooxypropyl) octanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 298.11813 Da
Monoisotopic Mass: 0.7
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]+	299.12541	171.7
[M+Na]+	321.10735	175.1
[M-H]-	297.11085	165.7
[M+NH4]+	316.15195	171.6
[M+K]+	337.08129	174.6
[M+H-H2O]+	281.11539	164.0
[M+HCOO]-	343.11633	183.6
[M+CH3COO]-	357.13198	195.4
[M+Na-2H]-	319.09280	170.2
[M]+	298.11758	177.6
[M]-	298.11868	177.6

Literature stripe

literature stripe

Patent stripe

patents stripe