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

12
Patents

190.0357 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04298 136.4
[M+Na]+ 213.02492 146.4
[M-H]- 189.02842 142.4
[M+NH4]+ 208.06952 159.9
[M+K]+ 228.99886 136.3
[M+H-H2O]+ 173.03296 137.4
[M+HCOO]- 235.03390 154.6
[M+CH3COO]- 249.04955 182.4
[M+Na-2H]- 211.01037 141.8
[M]+ 190.03515 151.1
[M]- 190.03625 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