CID 61572

Pentyl dihydrogen phosphate

Structural Information

Molecular Formula

C₅H₁₃O₄P

SMILES

CCCCCOP(=O)(O)O

InChI

InChI=1S/C5H13O4P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)

InChIKey

NVTPMUHPCAUGCB-UHFFFAOYSA-N

Compound name

pentyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 7917
Patents: 168.05515 Da
Monoisotopic Mass: 0.2
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]+	169.06243	138.3
[M+Na]+	191.04437	145.2
[M-H]-	167.04787	134.8
[M+NH4]+	186.08897	158.2
[M+K]+	207.01831	144.8
[M+H-H2O]+	151.05241	132.1
[M+HCOO]-	213.05335	164.1
[M+CH3COO]-	227.06900	173.3
[M+Na-2H]-	189.02982	142.0
[M]+	168.05460	141.7
[M]-	168.05570	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe