CID 3046041

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

Structural Information

Molecular Formula
C8H15O4P
SMILES
CC(C)CC12COP(=O)(OC1)OC2
InChI
InChI=1S/C8H15O4P/c1-7(2)3-8-4-10-13(9,11-5-8)12-6-8/h7H,3-6H2,1-2H3
InChIKey
NPMBMIQVAXXPPN-UHFFFAOYSA-N
Compound name
4-(2-methylpropyl)-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

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07808 145.5
[M+Na]+ 229.06002 150.9
[M-H]- 205.06352 143.3
[M+NH4]+ 224.10462 169.0
[M+K]+ 245.03396 153.9
[M+H-H2O]+ 189.06806 138.6
[M+HCOO]- 251.06900 159.7
[M+CH3COO]- 265.08465 188.7
[M+Na-2H]- 227.04547 157.0
[M]+ 206.07025 151.8
[M]- 206.07135 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

No patent data available for this compound.