CID 3062265

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

Structural Information

Molecular Formula
C5H9O5P
SMILES
COC12COP(=O)(OC1)OC2
InChI
InChI=1S/C5H9O5P/c1-7-5-2-8-11(6,9-3-5)10-4-5/h2-4H2,1H3
InChIKey
KOIAPSZQQBWGGK-UHFFFAOYSA-N
Compound name
4-methoxy-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

180.01875 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.026026 131.4
[M+Na]+ 203.007968 138.2
[M-H]- 179.011474 129.8
[M+NH4]+ 198.052573 156.0
[M+K]+ 218.981908 142.2
[M+H-H2O]+ 163.016010 124.8
[M+HCOO]- 225.016951 147.9
[M+CH3COO]- 239.032601 181.3
[M+Na-2H]- 200.993416 146.2
[M]+ 180.01820142 139.0
[M]- 180.01929858 139.0
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.