CID 13664015

101714-60-7

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

literature stripe

Patent stripe

patents stripe