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]+ 207.07808 147.4
[M+Na]+ 229.06002 153.3
[M-H]- 205.06352 145.4
[M+NH4]+ 224.10462 169.5
[M+K]+ 245.03396 156.4
[M+H-H2O]+ 189.06806 141.3
[M+HCOO]- 251.06900 161.2
[M+CH3COO]- 265.08465 189.0
[M+Na-2H]- 227.04547 159.5
[M]+ 206.07025 153.8
[M]- 206.07135 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.