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]+ 225.052246 144.3
[M+Na]+ 247.034188 149.8
[M-H]- 223.037694 142.2
[M+NH4]+ 242.078793 166.9
[M+K]+ 263.008128 154.4
[M+H-H2O]+ 207.042230 137.5
[M+HCOO]- 269.043171 159.2
[M+CH3COO]- 283.058821 190.1
[M+Na-2H]- 245.019636 157.3
[M]+ 224.04442142 153.4
[M]- 224.04551858 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.