CID 3051635

Brn 2260636

Structural Information

Molecular Formula
C8H15O4P
SMILES
CC1C2(COP(=O)(O1)OC2)C(C)C
InChI
InChI=1S/C8H15O4P/c1-6(2)8-4-10-13(9,11-5-8)12-7(8)3/h6-7H,4-5H2,1-3H3
InChIKey
OROFHAYZSNQDJY-UHFFFAOYSA-N
Compound name
3-methyl-4-propan-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

0
Patents

206.0708 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.078076 145.4
[M+Na]+ 229.060018 151.7
[M-H]- 205.063524 143.5
[M+NH4]+ 224.104623 169.2
[M+K]+ 245.033958 154.7
[M+H-H2O]+ 189.068060 138.8
[M+HCOO]- 251.069001 159.5
[M+CH3COO]- 265.084651 189.9
[M+Na-2H]- 227.045466 156.4
[M]+ 206.07025142 152.1
[M]- 206.07134858 152.1
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.