CID 97801

2-(chloromethyl)-1,4-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C9H15ClO2
SMILES
C1CCC2(CC1)OCC(O2)CCl
InChI
InChI=1S/C9H15ClO2/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8H,1-7H2
InChIKey
XGQRXAWHKWEULC-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1,4-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

190.07605 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.083326 140.7
[M+Na]+ 213.065268 146.7
[M-H]- 189.068774 146.5
[M+NH4]+ 208.109873 162.2
[M+K]+ 229.039208 146.0
[M+H-H2O]+ 173.073310 136.4
[M+HCOO]- 235.074251 154.1
[M+CH3COO]- 249.089901 153.5
[M+Na-2H]- 211.050716 146.7
[M]+ 190.07550142 138.5
[M]- 190.07659858 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

literature stripe

Patent stripe

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