CID 109689

Phosphoric acid, butyl 2-ethoxyethyl ester

Structural Information

Molecular Formula

C₈H₁₉O₅P

SMILES

CCCCOP(=O)(O)OCCOCC

InChI

InChI=1S/C8H19O5P/c1-3-5-6-12-14(9,10)13-8-7-11-4-2/h3-8H2,1-2H3,(H,9,10)

InChIKey

NEDVNUPDHHLVKV-UHFFFAOYSA-N

Compound name

butyl 2-ethoxyethyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 226.09702 Da
Monoisotopic Mass: 0.5
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]+	227.104296	153.5
[M+Na]+	249.086238	159.5
[M-H]-	225.089744	150.8
[M+NH4]+	244.130843	171.7
[M+K]+	265.060178	159.8
[M+H-H2O]+	209.094280	146.2
[M+HCOO]-	271.095221	180.1
[M+CH3COO]-	285.110871	187.1
[M+Na-2H]-	247.071686	156.5
[M]+	226.09647142	161.4
[M]-	226.09756858	161.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.