CID 3062267

2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane, 4-(2-propenyl)-, 1-oxide

Structural Information

Molecular Formula
C7H11O4P
SMILES
C=CCC12COP(=O)(OC1)OC2
InChI
InChI=1S/C7H11O4P/c1-2-3-7-4-9-12(8,10-5-7)11-6-7/h2H,1,3-6H2
InChIKey
INFSBXBJBMOONL-UHFFFAOYSA-N
Compound name
4-prop-2-enyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.03949 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04677 137.6
[M+Na]+ 213.02871 144.0
[M-H]- 189.03221 135.6
[M+NH4]+ 208.07331 161.7
[M+K]+ 229.00265 146.2
[M+H-H2O]+ 173.03675 130.7
[M+HCOO]- 235.03769 153.4
[M+CH3COO]- 249.05334 184.1
[M+Na-2H]- 211.01416 150.9
[M]+ 190.03894 143.6
[M]- 190.04004 143.6
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.