CID 167736611

2-bromo-1-(4-methylidenecyclohexyl)ethan-1-one

Structural Information

Molecular Formula
C9H13BrO
SMILES
C=C1CCC(CC1)C(=O)CBr
InChI
InChI=1S/C9H13BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h8H,1-6H2
InChIKey
HRMFBKBECUBVFM-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-methylidenecyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.022256 141.8
[M+Na]+ 239.004198 150.7
[M-H]- 215.007704 147.3
[M+NH4]+ 234.048803 163.7
[M+K]+ 254.978138 140.0
[M+H-H2O]+ 199.012240 142.4
[M+HCOO]- 261.013181 159.3
[M+CH3COO]- 275.028831 185.1
[M+Na-2H]- 236.989646 146.1
[M]+ 216.01443142 156.0
[M]- 216.01552858 156.0
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.