CID 167724263

5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane

Structural Information

Molecular Formula
C12H23Br
SMILES
CC1(CC(CC(C1)(C)C)CCBr)C
InChI
InChI=1S/C12H23Br/c1-11(2)7-10(5-6-13)8-12(3,4)9-11/h10H,5-9H2,1-4H3
InChIKey
CWNIOGHABKTAFD-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.09831 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10559 148.5
[M+Na]+ 269.08753 158.5
[M-H]- 245.09103 154.6
[M+NH4]+ 264.13213 173.8
[M+K]+ 285.06147 148.1
[M+H-H2O]+ 229.09557 150.7
[M+HCOO]- 291.09651 165.6
[M+CH3COO]- 305.11216 193.0
[M+Na-2H]- 267.07298 154.3
[M]+ 246.09776 165.5
[M]- 246.09886 165.5
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

No patent data available for this compound.