CID 3062266

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

Structural Information

Molecular Formula
C7H13O6P
SMILES
COC(C12COP(=O)(OC1)OC2)OC
InChI
InChI=1S/C7H13O6P/c1-9-6(10-2)7-3-11-14(8,12-4-7)13-5-7/h6H,3-5H2,1-2H3
InChIKey
NLNVOFMFAAVGAS-UHFFFAOYSA-N
Compound name
4-(dimethoxymethyl)-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

224.04497 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05225 144.3
[M+Na]+ 247.03419 149.8
[M-H]- 223.03769 142.2
[M+NH4]+ 242.07879 166.9
[M+K]+ 263.00813 154.4
[M+H-H2O]+ 207.04223 137.5
[M+HCOO]- 269.04317 159.2
[M+CH3COO]- 283.05882 190.1
[M+Na-2H]- 245.01964 157.3
[M]+ 224.04442 153.4
[M]- 224.04552 153.4
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.