CID 75481174

2-(2-chloroethyl)-1,4-dioxaspiro[4.4]nonane

Structural Information

Molecular Formula
C9H15ClO2
SMILES
C1CCC2(C1)OCC(O2)CCCl
InChI
InChI=1S/C9H15ClO2/c10-6-3-8-7-11-9(12-8)4-1-2-5-9/h8H,1-7H2
InChIKey
WZHUWUXPLOSZLR-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-1,4-dioxaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07605 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08333 139.0
[M+Na]+ 213.06527 148.9
[M+NH4]+ 208.10987 149.9
[M+K]+ 229.03921 144.8
[M-H]- 189.06877 143.6
[M+Na-2H]- 211.05072 143.6
[M]+ 190.07550 142.0
[M]- 190.07660 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.