CID 3051630

Brn 2254806

Structural Information

Molecular Formula
C6H11O4P
SMILES
CC1C2(COP(=O)(O1)OC2)C
InChI
InChI=1S/C6H11O4P/c1-5-6(2)3-8-11(7,10-5)9-4-6/h5H,3-4H2,1-2H3
InChIKey
LJOCPDNNEOUEKQ-UHFFFAOYSA-N
Compound name
3,4-dimethyl-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

178.03949 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04677 136.6
[M+Na]+ 201.02871 146.8
[M+NH4]+ 196.07331 148.9
[M+K]+ 217.00265 138.7
[M-H]- 177.03221 137.5
[M+Na-2H]- 199.01416 135.4
[M]+ 178.03894 138.5
[M]- 178.04004 138.5
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.