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]+ 181.02603 131.4
[M+Na]+ 203.00797 138.2
[M-H]- 179.01147 129.8
[M+NH4]+ 198.05257 156.0
[M+K]+ 218.98191 142.2
[M+H-H2O]+ 163.01601 124.8
[M+HCOO]- 225.01695 147.9
[M+CH3COO]- 239.03260 181.3
[M+Na-2H]- 200.99342 146.2
[M]+ 180.01820 139.0
[M]- 180.01930 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.