CID 3042598

60028-24-2

Structural Information

Molecular Formula
C7H11ClO3
SMILES
CC12COC(OC1)(OC2)CCl
InChI
InChI=1S/C7H11ClO3/c1-6-3-9-7(2-8,10-4-6)11-5-6/h2-5H2,1H3
InChIKey
HQWHULPMMGXKKB-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03967 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.046946 130.2
[M+Na]+ 201.028888 137.6
[M-H]- 177.032394 129.7
[M+NH4]+ 196.073493 155.5
[M+K]+ 217.002828 138.9
[M+H-H2O]+ 161.036930 126.9
[M+HCOO]- 223.037871 136.5
[M+CH3COO]- 237.053521 142.8
[M+Na-2H]- 199.014336 147.0
[M]+ 178.03912142 137.0
[M]- 178.04021858 137.0
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.