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

9
Patents

218.06702 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.074296 144.2
[M+Na]+ 241.056238 153.4
[M-H]- 217.059744 149.9
[M+NH4]+ 236.100843 168.4
[M+K]+ 257.030178 143.1
[M+H-H2O]+ 201.064280 145.6
[M+HCOO]- 263.065221 161.9
[M+CH3COO]- 277.080871 186.6
[M+Na-2H]- 239.041686 150.3
[M]+ 218.06647142 159.7
[M]- 218.06756858 159.7
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