CID 22259628

Isobutylbis(hydroxymethyl)phosphine oxide

Structural Information

Molecular Formula
C6H15O3P
SMILES
CC(C)CP(=O)(CO)CO
InChI
InChI=1S/C6H15O3P/c1-6(2)3-10(9,4-7)5-8/h6-8H,3-5H2,1-2H3
InChIKey
OZEIKKSJNYAJPR-UHFFFAOYSA-N
Compound name
[hydroxymethyl(2-methylpropyl)phosphoryl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

166.07588 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.083156 140.8
[M+Na]+ 189.065098 147.1
[M-H]- 165.068604 137.2
[M+NH4]+ 184.109703 160.7
[M+K]+ 205.039038 146.4
[M+H-H2O]+ 149.073140 134.7
[M+HCOO]- 211.074081 165.0
[M+CH3COO]- 225.089731 175.0
[M+Na-2H]- 187.050546 142.5
[M]+ 166.07533142 142.4
[M]- 166.07642858 142.4
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

patents stripe