CID 80550

Diisobutyl hydrogen phosphate

Structural Information

Molecular Formula

C₈H₁₉O₄P

SMILES

CC(C)COP(=O)(O)OCC(C)C

InChI

InChI=1S/C8H19O4P/c1-7(2)5-11-13(9,10)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,10)

InChIKey

PVQVJLCMPNEFPM-UHFFFAOYSA-N

Compound name

bis(2-methylpropyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 431
Patents: 210.1021 Da
Monoisotopic Mass: 1.6
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	148.2
[M+Na]+	233.09132	155.2
[M+NH4]+	228.13592	153.3
[M+K]+	249.06526	153.0
[M-H]-	209.09482	144.4
[M+Na-2H]-	231.07677	148.4
[M]+	210.10155	147.6
[M]-	210.10265	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe