CID 106286

63294-54-2

Structural Information

Molecular Formula

C₈H₁₉O₅P

SMILES

CCCCCCOCCOP(=O)(O)O

InChI

InChI=1S/C8H19O5P/c1-2-3-4-5-6-12-7-8-13-14(9,10)11/h2-8H2,1H3,(H2,9,10,11)

InChIKey

LTHORJNUXJXZCK-UHFFFAOYSA-N

Compound name

2-hexoxyethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 49
Patents: 226.09702 Da
Monoisotopic Mass: 0.8
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]+	227.104296	154.6
[M+Na]+	249.086238	160.1
[M-H]-	225.089744	150.4
[M+NH4]+	244.130843	171.9
[M+K]+	265.060178	159.4
[M+H-H2O]+	209.094280	147.4
[M+HCOO]-	271.095221	179.5
[M+CH3COO]-	285.110871	184.5
[M+Na-2H]-	247.071686	156.9
[M]+	226.09647142	160.5
[M]-	226.09756858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe