CID 12051354

1-octadecyl lysophosphatidic acid

Structural Information

Molecular Formula

C₂₁H₄₅O₆P

SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)O

InChI

InChI=1S/C21H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H2,23,24,25)

InChIKey

HUUYDUFSUADEJQ-UHFFFAOYSA-N

Compound name

(2-hydroxy-3-octadecoxypropyl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 23
Patents: 424.29538 Da
Monoisotopic Mass: 6.5
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]+	425.30266	211.7
[M+Na]+	447.28460	213.6
[M+NH4]+	442.32920	213.0
[M+K]+	463.25854	210.2
[M-H]-	423.28810	200.5
[M+Na-2H]-	445.27005	214.6
[M]+	424.29483	208.5
[M]-	424.29593	208.5

Literature stripe

literature stripe

Patent stripe

patents stripe