CID 22289894

4-(2-bromoethyl)-1,1-dimethylcyclohexane

Structural Information

Molecular Formula
C10H19Br
SMILES
CC1(CCC(CC1)CCBr)C
InChI
InChI=1S/C10H19Br/c1-10(2)6-3-9(4-7-10)5-8-11/h9H,3-8H2,1-2H3
InChIKey
JBIYSTLVHILJDJ-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)-1,1-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

218.06702 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07430 145.0
[M+Na]+ 241.05624 147.1
[M+NH4]+ 236.10084 152.2
[M+K]+ 257.03018 144.4
[M-H]- 217.05974 146.3
[M+Na-2H]- 239.04169 148.6
[M]+ 218.06647 144.7
[M]- 218.06757 144.7
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