CID 3051632

Brn 2266682

Structural Information

Molecular Formula
C9H15O4P
SMILES
C1CCC(C1)C23COP(=O)(OC2)OC3
InChI
InChI=1S/C9H15O4P/c10-14-11-5-9(6-12-14,7-13-14)8-3-1-2-4-8/h8H,1-7H2
InChIKey
UOXHNJXHIBRYFX-UHFFFAOYSA-N
Compound name
4-cyclopentyl-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

218.0708 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07808 140.9
[M+Na]+ 241.06002 145.4
[M-H]- 217.06352 141.2
[M+NH4]+ 236.10462 165.1
[M+K]+ 257.03396 147.3
[M+H-H2O]+ 201.06806 133.8
[M+HCOO]- 263.06900 155.2
[M+CH3COO]- 277.08465 152.2
[M+Na-2H]- 239.04547 150.5
[M]+ 218.07025 143.4
[M]- 218.07135 143.4
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.