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 131.3
[M+Na]+ 199.01307 136.1
[M-H]- 175.01657 128.6
[M+NH4]+ 194.05767 154.9
[M+K]+ 214.98701 138.9
[M+H-H2O]+ 159.02111 123.5
[M+HCOO]- 221.02205 143.8
[M+CH3COO]- 235.03770 142.6
[M+Na-2H]- 196.99852 144.2
[M]+ 176.02330 136.5
[M]- 176.02440 136.5
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.