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]+ 161.072766 126.8
[M+Na]+ 183.054708 135.7
[M-H]- 159.058214 131.0
[M+NH4]+ 178.099313 144.8
[M+K]+ 199.028648 135.5
[M+H-H2O]+ 143.062750 120.1
[M+HCOO]- 205.063691 144.6
[M+CH3COO]- 219.079341 181.5
[M+Na-2H]- 181.040156 132.6
[M]+ 160.06494142 138.1
[M]- 160.06603858 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.