CID 199942

2,6,7-trioxa-1-phosphabicyclo2.2.2octane-4-methanol, 1-oxide

Structural Information

Molecular Formula
C5H9O5P
SMILES
C1C2(COP(=O)(O1)OC2)CO
InChI
InChI=1S/C5H9O5P/c6-1-5-2-8-11(7,9-3-5)10-4-5/h6H,1-4H2
InChIKey
YASRHLDAFCMIPB-UHFFFAOYSA-N
Compound name
(1-oxo-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

353
Patents

180.01875 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02603 133.0
[M+Na]+ 203.00797 139.5
[M-H]- 179.01147 130.0
[M+NH4]+ 198.05257 156.9
[M+K]+ 218.98191 142.6
[M+H-H2O]+ 163.01601 126.7
[M+HCOO]- 225.01695 148.1
[M+CH3COO]- 239.03260 178.9
[M+Na-2H]- 200.99342 147.4
[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

literature stripe

Patent stripe

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