CID 449085

Ethyl methylphosphonate

Structural Information

Molecular Formula
C3H9O3P
SMILES
CCOP(=O)(C)O
InChI
InChI=1S/C3H9O3P/c1-3-6-7(2,4)5/h3H2,1-2H3,(H,4,5)
InChIKey
UFZOPKFMKMAWLU-UHFFFAOYSA-N
Compound name
ethoxy(methyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

4482
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 125.0
[M+Na]+ 147.018148 133.4
[M-H]- 123.021654 123.4
[M+NH4]+ 142.062753 147.5
[M+K]+ 162.992088 133.9
[M+H-H2O]+ 107.026190 119.4
[M+HCOO]- 169.027131 152.8
[M+CH3COO]- 183.042781 167.7
[M+Na-2H]- 145.003596 130.3
[M]+ 124.02838142 128.2
[M]- 124.02947858 128.2
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