CID 52943738

103528-51-4

Structural Information

Molecular Formula
C5H9O5P
SMILES
COC(=O)C(=C)CP(=O)(O)O
InChI
InChI=1S/C5H9O5P/c1-4(5(6)10-2)3-11(7,8)9/h1,3H2,2H3,(H2,7,8,9)
InChIKey
OCAMAQVVROGPGJ-UHFFFAOYSA-N
Compound name
2-methoxycarbonylprop-2-enylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

180.01875 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02603 136.7
[M+Na]+ 203.00797 143.7
[M-H]- 179.01147 133.4
[M+NH4]+ 198.05257 155.8
[M+K]+ 218.98191 143.7
[M+H-H2O]+ 163.01601 130.7
[M+HCOO]- 225.01695 161.2
[M+CH3COO]- 239.03260 174.4
[M+Na-2H]- 200.99342 138.3
[M]+ 180.01820 138.7
[M]- 180.01930 138.7
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