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

180
Patents

190.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04298 138.7
[M+Na]+ 213.02492 146.6
[M-H]- 189.02842 144.0
[M+NH4]+ 208.06952 161.5
[M+K]+ 228.99886 137.0
[M+H-H2O]+ 173.03296 139.4
[M+HCOO]- 235.03390 155.9
[M+CH3COO]- 249.04955 181.1
[M+Na-2H]- 211.01037 144.1
[M]+ 190.03515 152.1
[M]- 190.03625 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