CID 198417

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

Structural Information

Molecular Formula
C8H15O4P
SMILES
CCC(C)C12COP(=O)(OC1)OC2
InChI
InChI=1S/C8H15O4P/c1-3-7(2)8-4-10-13(9,11-5-8)12-6-8/h7H,3-6H2,1-2H3
InChIKey
HKCNALAFYBWTKD-UHFFFAOYSA-N
Compound name
4-butan-2-yl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 145.5
[M+Na]+ 229.060018 150.9
[M-H]- 205.063524 143.3
[M+NH4]+ 224.104623 169.0
[M+K]+ 245.033958 153.9
[M+H-H2O]+ 189.068060 138.6
[M+HCOO]- 251.069001 159.7
[M+CH3COO]- 265.084651 188.7
[M+Na-2H]- 227.045466 157.0
[M]+ 206.07025142 151.8
[M]- 206.07134858 151.8
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

patents stripe