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

3
Annotation Hits: 2
References: 7680
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]+	183.078076	143.1
[M+Na]+	205.060018	149.6
[M-H]-	181.063524	139.4
[M+NH4]+	200.104623	162.3
[M+K]+	221.033958	148.9
[M+H-H2O]+	165.068060	136.7
[M+HCOO]-	227.069001	168.5
[M+CH3COO]-	241.084651	176.3
[M+Na-2H]-	203.045466	146.2
[M]+	182.07025142	146.8
[M]-	182.07134858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe