CID 20222668

4-bromo-1,1-dimethylcyclohexane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC1(CCC(CC1)Br)C
InChI
InChI=1S/C8H15Br/c1-8(2)5-3-7(9)4-6-8/h7H,3-6H2,1-2H3
InChIKey
UKBCEHVBRSAZMG-UHFFFAOYSA-N
Compound name
4-bromo-1,1-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.0357 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 135.1
[M+Na]+ 213.024918 145.0
[M-H]- 189.028424 141.1
[M+NH4]+ 208.069523 160.3
[M+K]+ 228.998858 135.3
[M+H-H2O]+ 173.032960 136.9
[M+HCOO]- 235.033901 153.4
[M+CH3COO]- 249.049551 181.0
[M+Na-2H]- 211.010366 142.3
[M]+ 190.03515142 150.0
[M]- 190.03624858 150.0
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