CID 165592352

2-(2-chloroethyl)-3,3-dimethylcyclobutan-1-one

Structural Information

Molecular Formula
C8H13ClO
SMILES
CC1(CC(=O)C1CCCl)C
InChI
InChI=1S/C8H13ClO/c1-8(2)5-7(10)6(8)3-4-9/h6H,3-5H2,1-2H3
InChIKey
GLMYXJLMSYJSMA-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)-3,3-dimethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06549 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07277 126.8
[M+Na]+ 183.05471 135.7
[M-H]- 159.05821 131.0
[M+NH4]+ 178.09931 144.8
[M+K]+ 199.02865 135.5
[M+H-H2O]+ 143.06275 120.1
[M+HCOO]- 205.06369 144.6
[M+CH3COO]- 219.07934 181.5
[M+Na-2H]- 181.04016 132.6
[M]+ 160.06494 138.1
[M]- 160.06604 138.1
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.