CID 13664015

2-bromo-1-cyclohexylpropan-1-one

Structural Information

Molecular Formula
C9H15BrO
SMILES
CC(C(=O)C1CCCCC1)Br
InChI
InChI=1S/C9H15BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKey
BKMKMXLHLLWKTQ-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclohexylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.03062 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 144.9
[M+Na]+ 241.01984 152.4
[M-H]- 217.02334 150.1
[M+NH4]+ 236.06444 166.5
[M+K]+ 256.99378 142.7
[M+H-H2O]+ 201.02788 145.3
[M+HCOO]- 263.02882 161.2
[M+CH3COO]- 277.04447 185.7
[M+Na-2H]- 239.00529 148.6
[M]+ 218.03007 158.8
[M]- 218.03117 158.8
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

No patent data available for this compound.