CID 3051633

Brn 2264788

Structural Information

Molecular Formula
C8H13O4P
SMILES
C1CC(C1)C23COP(=O)(OC2)OC3
InChI
InChI=1S/C8H13O4P/c9-13-10-4-8(5-11-13,6-12-13)7-2-1-3-7/h7H,1-6H2
InChIKey
XCXJHPIRIILXRQ-UHFFFAOYSA-N
Compound name
4-cyclobutyl-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

204.05515 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06243 142.0
[M+Na]+ 227.04437 146.0
[M-H]- 203.04787 143.2
[M+NH4]+ 222.08897 159.0
[M+K]+ 243.01831 151.8
[M+H-H2O]+ 187.05241 130.5
[M+HCOO]- 249.05335 155.8
[M+CH3COO]- 263.06900 189.6
[M+Na-2H]- 225.02982 153.5
[M]+ 204.05460 154.2
[M]- 204.05570 154.2
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.