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
1
Annotation Hits

2
References

593
Patents

193.09935 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10663 145.5
[M+Na]+ 216.08857 152.9
[M-H]- 192.09207 145.6
[M+NH4]+ 211.13317 166.1
[M+K]+ 232.06251 148.7
[M+H-H2O]+ 176.09661 142.7
[M+HCOO]- 238.09755 170.7
[M+CH3COO]- 252.11320 178.4
[M+Na-2H]- 214.07402 151.9
[M]+ 193.09880 149.9
[M]- 193.09990 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.