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]+ 191.083326 142.5
[M+Na]+ 213.065268 149.2
[M-H]- 189.068774 148.4
[M+NH4]+ 208.109873 165.6
[M+K]+ 229.039208 148.4
[M+H-H2O]+ 173.073310 138.9
[M+HCOO]- 235.074251 157.8
[M+CH3COO]- 249.089901 176.7
[M+Na-2H]- 211.050716 147.0
[M]+ 190.07550142 142.3
[M]- 190.07659858 142.3
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.