CID 19787

Hexyl dihydrogen phosphate

Structural Information

Molecular Formula

C₆H₁₅O₄P

SMILES

CCCCCCOP(=O)(O)O

InChI

InChI=1S/C6H15O4P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9)

InChIKey

PHNWGDTYCJFUGZ-UHFFFAOYSA-N

Compound name

hexyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5808
Patents: 182.0708 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]+	183.07808	140.1
[M+Na]+	205.06002	147.6
[M+NH4]+	200.10462	145.4
[M+K]+	221.03396	144.5
[M-H]-	181.06352	136.2
[M+Na-2H]-	203.04547	140.9
[M]+	182.07025	139.5
[M]-	182.07135	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe