CID 62009

14260-98-1

Structural Information

Molecular Formula

C₆H₁₅O₅P

SMILES

CCCCOCCOP(=O)(O)O

InChI

InChI=1S/C6H15O5P/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H2,7,8,9)

InChIKey

TVAJJUOMNRUGQA-UHFFFAOYSA-N

Compound name

2-butoxyethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 985
Patents: 198.0657 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]+	199.07298	142.8
[M+Na]+	221.05492	149.8
[M+NH4]+	216.09952	147.5
[M+K]+	237.02886	147.3
[M-H]-	197.05842	138.3
[M+Na-2H]-	219.04037	143.1
[M]+	198.06515	141.9
[M]-	198.06625	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe