CID 189964

Potassium p,p-dimethylphosphonoacetate

Structural Information

Molecular Formula
C4H9O5P
SMILES
COP(=O)(CC(=O)O)OC
InChI
InChI=1S/C4H9O5P/c1-8-10(7,9-2)3-4(5)6/h3H2,1-2H3,(H,5,6)
InChIKey
QOJLTIJRCYTUDQ-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

619
Patents

168.01875 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02603 132.5
[M+Na]+ 191.00797 140.2
[M-H]- 167.01147 130.7
[M+NH4]+ 186.05257 152.8
[M+K]+ 206.98191 141.4
[M+H-H2O]+ 151.01601 126.2
[M+HCOO]- 213.01695 159.6
[M+CH3COO]- 227.03260 174.8
[M+Na-2H]- 188.99342 136.4
[M]+ 168.01820 137.5
[M]- 168.01930 137.5
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