CID 76513

Diethyl (hydroxymethyl)phosphonate

Structural Information

Molecular Formula
C5H13O4P
SMILES
CCOP(=O)(CO)OCC
InChI
InChI=1S/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3
InChIKey
RWIGWWBLTJLKMK-UHFFFAOYSA-N
Compound name
diethoxyphosphorylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1438
Patents

168.05515 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06243 137.1
[M+Na]+ 191.04437 144.4
[M-H]- 167.04787 135.0
[M+NH4]+ 186.08897 157.7
[M+K]+ 207.01831 145.0
[M+H-H2O]+ 151.05241 130.7
[M+HCOO]- 213.05335 164.4
[M+CH3COO]- 227.06900 175.9
[M+Na-2H]- 189.02982 141.4
[M]+ 168.05460 142.4
[M]- 168.05570 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

No patent data available for this compound.