CID 120825

93672-50-5

Structural Information

Molecular Formula
C6H9O4P
SMILES
C1C2CC3CC1OP(=O)(O2)O3
InChI
InChI=1S/C6H9O4P/c7-11-8-4-1-5(9-11)3-6(2-4)10-11/h4-6H,1-3H2
InChIKey
IQCIAQZIMSFUIR-UHFFFAOYSA-N
Compound name
2,8,9-trioxa-1lambda5-phosphatricyclo[3.3.1.13,7]decane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02385 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03113 136.1
[M+Na]+ 199.01307 146.1
[M+NH4]+ 194.05767 148.0
[M+K]+ 214.98701 139.4
[M-H]- 175.01657 136.9
[M+Na-2H]- 196.99852 131.9
[M]+ 176.02330 137.8
[M]- 176.02440 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.