CID 4583084

113187-28-3

Structural Information

Molecular Formula
C9H17O5P
SMILES
CCOP(=O)(CC(=O)OCC=C)OCC
InChI
InChI=1S/C9H17O5P/c1-4-7-12-9(10)8-15(11,13-5-2)14-6-3/h4H,1,5-8H2,2-3H3
InChIKey
USZLAMOPIWNLPH-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-diethoxyphosphorylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

236.08136 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08864 153.6
[M+Na]+ 259.07058 160.1
[M-H]- 235.07408 152.5
[M+NH4]+ 254.11518 172.0
[M+K]+ 275.04452 160.4
[M+H-H2O]+ 219.07862 146.4
[M+HCOO]- 281.07956 180.9
[M+CH3COO]- 295.09521 190.9
[M+Na-2H]- 257.05603 155.6
[M]+ 236.08081 161.8
[M]- 236.08191 161.8
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.