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]+ 219.037896 143.6
[M+Na]+ 241.019838 152.2
[M-H]- 217.023344 149.0
[M+NH4]+ 236.064443 165.5
[M+K]+ 256.993778 142.1
[M+H-H2O]+ 201.027880 144.1
[M+HCOO]- 263.028821 160.8
[M+CH3COO]- 277.044471 185.9
[M+Na-2H]- 239.005286 147.8
[M]+ 218.03007142 158.4
[M]- 218.03116858 158.4
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

patents stripe