CID 12939506

(1-bromoethyl)cyclohexane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC(C1CCCCC1)Br
InChI
InChI=1S/C8H15Br/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKey
DYGXAQIAUFEJTH-UHFFFAOYSA-N
Compound name
1-bromoethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

190.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 138.7
[M+Na]+ 213.024918 146.6
[M-H]- 189.028424 144.0
[M+NH4]+ 208.069523 161.5
[M+K]+ 228.998858 137.0
[M+H-H2O]+ 173.032960 139.4
[M+HCOO]- 235.033901 155.9
[M+CH3COO]- 249.049551 181.1
[M+Na-2H]- 211.010366 144.1
[M]+ 190.03515142 152.1
[M]- 190.03624858 152.1
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