CID 45081175

220270-23-5

Structural Information

Molecular Formula
C9H15BrO
SMILES
CC1CCCC(C1)C(=O)CBr
InChI
InChI=1S/C9H15BrO/c1-7-3-2-4-8(5-7)9(11)6-10/h7-8H,2-6H2,1H3
InChIKey
ODLBURIROQYTMI-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-methylcyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.03062 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 140.8
[M+Na]+ 241.01984 142.4
[M+NH4]+ 236.06444 146.0
[M+K]+ 256.99378 142.4
[M-H]- 217.02334 141.2
[M+Na-2H]- 239.00529 142.6
[M]+ 218.03007 139.8
[M]- 218.03117 139.8
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

patents stripe