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

628
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

literature stripe

Patent stripe

patents stripe