CID 3067949

4-ethyl-3-methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxide

Structural Information

Molecular Formula
C7H13O4P
SMILES
CCC12COP(=O)(OC1)OC2C
InChI
InChI=1S/C7H13O4P/c1-3-7-4-9-12(8,10-5-7)11-6(7)2/h6H,3-5H2,1-2H3
InChIKey
SKMSLZJBMOEFJQ-UHFFFAOYSA-N
Compound name
4-ethyl-3-methyl-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

192.05515 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06243 139.3
[M+Na]+ 215.04437 146.3
[M-H]- 191.04787 137.7
[M+NH4]+ 210.08897 163.8
[M+K]+ 231.01831 149.2
[M+H-H2O]+ 175.05241 132.7
[M+HCOO]- 237.05335 154.9
[M+CH3COO]- 251.06900 186.1
[M+Na-2H]- 213.02982 152.1
[M]+ 192.05460 146.4
[M]- 192.05570 146.4
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.