CID 3067951

3-(1,1-dimethylethyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxide

Structural Information

Molecular Formula
C8H15O4P
SMILES
CC(C)(C)C1C2COP(=O)(O1)OC2
InChI
InChI=1S/C8H15O4P/c1-8(2,3)7-6-4-10-13(9,12-7)11-5-6/h6-7H,4-5H2,1-3H3
InChIKey
SEBYPXGQZJQXHS-UHFFFAOYSA-N
Compound name
3-tert-butyl-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

206.0708 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.078076 147.4
[M+Na]+ 229.060018 153.3
[M-H]- 205.063524 145.4
[M+NH4]+ 224.104623 169.5
[M+K]+ 245.033958 156.4
[M+H-H2O]+ 189.068060 141.3
[M+HCOO]- 251.069001 161.2
[M+CH3COO]- 265.084651 189.0
[M+Na-2H]- 227.045466 159.5
[M]+ 206.07025142 153.8
[M]- 206.07134858 153.8
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.