CID 200183

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

Structural Information

Molecular Formula
C5H9O4P
SMILES
C1C2(COP(O1)OC2)CO
InChI
InChI=1S/C5H9O4P/c6-1-5-2-7-10(8-3-5)9-4-5/h6H,1-4H2
InChIKey
YEWBOZCFGXOUQW-UHFFFAOYSA-N
Compound name
2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6390
Patents

164.02385 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03113 132.0
[M+Na]+ 187.01307 137.2
[M-H]- 163.01657 128.7
[M+NH4]+ 182.05767 154.6
[M+K]+ 202.98701 140.2
[M+H-H2O]+ 147.02111 125.6
[M+HCOO]- 209.02205 146.8
[M+CH3COO]- 223.03770 177.6
[M+Na-2H]- 184.99852 144.8
[M]+ 164.02330 136.6
[M]- 164.02440 136.6
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

patents stripe