CID 3046040

Alpha-methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol 1-oxide

Structural Information

Molecular Formula
C6H11O5P
SMILES
CC(C12COP(=O)(OC1)OC2)O
InChI
InChI=1S/C6H11O5P/c1-5(7)6-2-9-12(8,10-3-6)11-4-6/h5,7H,2-4H2,1H3
InChIKey
VVUJIGZXHZXNDC-UHFFFAOYSA-N
Compound name
1-(1-oxo-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octan-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03441 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04169 139.3
[M+Na]+ 217.02363 145.0
[M-H]- 193.02713 136.0
[M+NH4]+ 212.06823 162.5
[M+K]+ 232.99757 148.3
[M+H-H2O]+ 177.03167 133.0
[M+HCOO]- 239.03261 152.9
[M+CH3COO]- 253.04826 182.7
[M+Na-2H]- 215.00908 151.8
[M]+ 194.03386 144.9
[M]- 194.03496 144.9
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.