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 144.2
[M+Na]+ 241.05624 153.4
[M-H]- 217.05974 149.9
[M+NH4]+ 236.10084 168.4
[M+K]+ 257.03018 143.1
[M+H-H2O]+ 201.06428 145.6
[M+HCOO]- 263.06522 161.9
[M+CH3COO]- 277.08087 186.6
[M+Na-2H]- 239.04169 150.3
[M]+ 218.06647 159.7
[M]- 218.06757 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