CID 155821213

2003614-54-6

Structural Information

Molecular Formula
C9H13ClO2
SMILES
C1COCCC12CC2C(=O)CCl
InChI
InChI=1S/C9H13ClO2/c10-6-8(11)7-5-9(7)1-3-12-4-2-9/h7H,1-6H2
InChIKey
JTKJIBLDFFOIAN-UHFFFAOYSA-N
Compound name
2-chloro-1-(6-oxaspiro[2.5]octan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06041 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06769 138.5
[M+Na]+ 211.04963 146.7
[M-H]- 187.05313 145.1
[M+NH4]+ 206.09423 154.8
[M+K]+ 227.02357 145.5
[M+H-H2O]+ 171.05767 133.7
[M+HCOO]- 233.05861 152.8
[M+CH3COO]- 247.07426 182.1
[M+Na-2H]- 209.03508 145.0
[M]+ 188.05986 140.4
[M]- 188.06096 140.4
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.