CID 154814520

2551119-16-3

Structural Information

Molecular Formula
C11H17ClO
SMILES
C1CCC2(CC2)C(C1)CC(=O)CCl
InChI
InChI=1S/C11H17ClO/c12-8-10(13)7-9-3-1-2-4-11(9)5-6-11/h9H,1-8H2
InChIKey
ZCOIMZBLJWYMKW-UHFFFAOYSA-N
Compound name
1-chloro-3-spiro[2.5]octan-8-ylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09679 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10407 144.0
[M+Na]+ 223.08601 151.3
[M-H]- 199.08951 149.5
[M+NH4]+ 218.13061 161.1
[M+K]+ 239.05995 148.1
[M+H-H2O]+ 183.09405 139.1
[M+HCOO]- 245.09499 158.6
[M+CH3COO]- 259.11064 186.0
[M+Na-2H]- 221.07146 148.4
[M]+ 200.09624 144.4
[M]- 200.09734 144.4
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.