CID 13032452

2-octanol, dihydrogen phosphate

Structural Information

Molecular Formula

C₈H₁₉O₄P

SMILES

CCCCCCC(C)OP(=O)(O)O

InChI

InChI=1S/C8H19O4P/c1-3-4-5-6-7-8(2)12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)

InChIKey

STMLQIACVZOCHU-UHFFFAOYSA-N

Compound name

octan-2-yl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 389
Patents: 210.1021 Da
Monoisotopic Mass: 1.8
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]+	211.10938	148.9
[M+Na]+	233.09132	155.6
[M+NH4]+	228.13592	153.7
[M+K]+	249.06526	152.9
[M-H]-	209.09482	144.7
[M+Na-2H]-	231.07677	148.8
[M]+	210.10155	148.1
[M]-	210.10265	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe