CID 6335290

Bis(1,1-dimethylethyl) phosphonate

Structural Information

Molecular Formula

C₈H₁₈O₃P

SMILES

CC(C)(C)O[P+](=O)OC(C)(C)C

InChI

InChI=1S/C8H18O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h1-6H3/q+1

InChIKey

GEBLOQXLELCEEO-UHFFFAOYSA-N

Compound name

bis[(2-methylpropan-2-yl)oxy]-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 593
Patents: 193.09935 Da
Monoisotopic Mass: 1.9
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]+	194.106626	145.5
[M+Na]+	216.088568	152.9
[M-H]-	192.092074	145.6
[M+NH4]+	211.133173	166.1
[M+K]+	232.062508	148.7
[M+H-H2O]+	176.096610	142.7
[M+HCOO]-	238.097551	170.7
[M+CH3COO]-	252.113201	178.4
[M+Na-2H]-	214.074016	151.9
[M]+	193.09880142	149.9
[M]-	193.09989858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe