CID 24779563

16:0 cyclic lpa

Structural Information

Molecular Formula

C₁₉H₃₇O₆P

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O1)O

InChI

InChI=1S/C19H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)23-16-18-17-24-26(21,22)25-18/h18H,2-17H2,1H3,(H,21,22)/t18-/m1/s1

InChIKey

WLYRJURLXSFXRK-GOSISDBHSA-N

Compound name

[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]methyl hexadecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 392.2328 Da
Monoisotopic Mass: 6.0
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]+	393.240076	202.4
[M+Na]+	415.222018	204.0
[M-H]-	391.225524	202.3
[M+NH4]+	410.266623	214.5
[M+K]+	431.195958	203.7
[M+H-H2O]+	375.230060	194.1
[M+HCOO]-	437.231001	223.6
[M+CH3COO]-	451.246651	218.1
[M+Na-2H]-	413.207466	199.1
[M]+	392.23225142	211.5
[M]-	392.23334858	211.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.