CID 567345

8-chloro-1,4-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C8H13ClO2
SMILES
C1CC2(CCC1Cl)OCCO2
InChI
InChI=1S/C8H13ClO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7H,1-6H2
InChIKey
BYHPLTNQVPWHQW-UHFFFAOYSA-N
Compound name
8-chloro-1,4-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06041 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06769 136.0
[M+Na]+ 199.04963 142.4
[M-H]- 175.05313 142.0
[M+NH4]+ 194.09423 158.0
[M+K]+ 215.02357 142.0
[M+H-H2O]+ 159.05767 131.9
[M+HCOO]- 221.05861 149.7
[M+CH3COO]- 235.07426 149.2
[M+Na-2H]- 197.03508 142.5
[M]+ 176.05986 133.4
[M]- 176.06096 133.4
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.