CID 12958

Dimethyl methylphosphonate

Structural Information

Molecular Formula
C3H9O3P
SMILES
COP(=O)(C)OC
InChI
InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3
InChIKey
VONWDASPFIQPDY-UHFFFAOYSA-N
Compound name
[methoxy(methyl)phosphoryl]oxymethane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

165
References

21750
Patents

124.02893 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.036206 123.6
[M+Na]+ 147.018148 132.4
[M-H]- 123.021654 123.4
[M+NH4]+ 142.062753 146.8
[M+K]+ 162.992088 133.9
[M+H-H2O]+ 107.026190 117.7
[M+HCOO]- 169.027131 152.9
[M+CH3COO]- 183.042781 170.5
[M+Na-2H]- 145.003596 129.4
[M]+ 124.02838142 128.7
[M]- 124.02947858 128.7
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