CID 3046039

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

Structural Information

Molecular Formula
C6H11O5P
SMILES
COCC12COP(=O)(OC1)OC2
InChI
InChI=1S/C6H11O5P/c1-8-2-6-3-9-12(7,10-4-6)11-5-6/h2-5H2,1H3
InChIKey
YELNCVPQUBNXMZ-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)-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

194.03441 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04169 136.3
[M+Na]+ 217.02363 142.7
[M-H]- 193.02713 134.5
[M+NH4]+ 212.06823 160.3
[M+K]+ 232.99757 146.4
[M+H-H2O]+ 177.03167 129.5
[M+HCOO]- 239.03261 152.5
[M+CH3COO]- 253.04826 184.2
[M+Na-2H]- 215.00908 150.6
[M]+ 194.03386 144.2
[M]- 194.03496 144.2
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.