CID 53481023

Dhap(10:0)

Structural Information

Molecular Formula

C₁₃H₂₅O₇P

SMILES

CCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O

InChI

InChI=1S/C13H25O7P/c1-2-3-4-5-6-7-8-9-13(15)19-10-12(14)11-20-21(16,17)18/h2-11H2,1H3,(H2,16,17,18)

InChIKey

DWBYHKXQHTVKTE-UHFFFAOYSA-N

Compound name

(2-oxo-3-phosphonooxypropyl) decanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 324.1338 Da
Monoisotopic Mass: 2.2
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]+	325.14108	178.3
[M+Na]+	347.12302	181.6
[M-H]-	323.12652	173.5
[M+NH4]+	342.16762	180.2
[M+K]+	363.09696	180.9
[M+H-H2O]+	307.13106	170.2
[M+HCOO]-	369.13200	191.3
[M+CH3COO]-	383.14765	202.9
[M+Na-2H]-	345.10847	176.5
[M]+	324.13325	186.2
[M]-	324.13435	186.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe