CID 429756

33494-81-4

Structural Information

Molecular Formula

C₈H₁₉O₄P

SMILES

CC(C)(C)OP(=O)(O)OC(C)(C)C

InChI

InChI=1S/C8H19O4P/c1-7(2,3)11-13(9,10)12-8(4,5)6/h1-6H3,(H,9,10)

InChIKey

YEWZQCDRZRYAEB-UHFFFAOYSA-N

Compound name

ditert-butyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 1843
Patents: 210.1021 Da
Monoisotopic Mass: 1.0
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]+	211.109376	151.2
[M+Na]+	233.091318	158.3
[M-H]-	209.094824	149.4
[M+NH4]+	228.135923	170.5
[M+K]+	249.065258	159.1
[M+H-H2O]+	193.099360	145.7
[M+HCOO]-	255.100301	174.4
[M+CH3COO]-	269.115951	184.6
[M+Na-2H]-	231.076766	156.4
[M]+	210.10155142	156.4
[M]-	210.10264858	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe