CID 89566

22002-85-3

Structural Information

Molecular Formula

C₁₉H₃₉O₇P

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O

InChI

InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)

InChIKey

YNDYKPRNFWPPFU-UHFFFAOYSA-N

Compound name

(2-hydroxy-3-phosphonooxypropyl) hexadecanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 15
References: 220
Patents: 410.24335 Da
Monoisotopic Mass: 5.0
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]+	411.25063	205.1
[M+Na]+	433.23257	207.2
[M+NH4]+	428.27717	207.7
[M+K]+	449.20651	203.9
[M-H]-	409.23607	197.0
[M+Na-2H]-	431.21802	209.4
[M]+	410.24280	202.9
[M]-	410.24390	202.9

Literature stripe

literature stripe

Patent stripe

patents stripe