CID 64753070

1-bromo-3,5-dimethylcyclohexane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC1CC(CC(C1)Br)C
InChI
InChI=1S/C8H15Br/c1-6-3-7(2)5-8(9)4-6/h6-8H,3-5H2,1-2H3
InChIKey
PWECRZWUPVQPSE-UHFFFAOYSA-N
Compound name
1-bromo-3,5-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.0357 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 136.4
[M+Na]+ 213.024918 146.4
[M-H]- 189.028424 142.4
[M+NH4]+ 208.069523 159.9
[M+K]+ 228.998858 136.3
[M+H-H2O]+ 173.032960 137.4
[M+HCOO]- 235.033901 154.6
[M+CH3COO]- 249.049551 182.4
[M+Na-2H]- 211.010366 141.8
[M]+ 190.03515142 151.1
[M]- 190.03624858 151.1
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