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]+ 179.04695 130.2
[M+Na]+ 201.02889 137.6
[M-H]- 177.03239 129.7
[M+NH4]+ 196.07349 155.5
[M+K]+ 217.00283 138.9
[M+H-H2O]+ 161.03693 126.9
[M+HCOO]- 223.03787 136.5
[M+CH3COO]- 237.05352 142.8
[M+Na-2H]- 199.01434 147.0
[M]+ 178.03912 137.0
[M]- 178.04022 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.