CID 57745297

3-bromo-1,1-dimethylcyclohexane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC1(CCCC(C1)Br)C
InChI
InChI=1S/C8H15Br/c1-8(2)5-3-4-7(9)6-8/h7H,3-6H2,1-2H3
InChIKey
LXSNPTXXWZFQQK-UHFFFAOYSA-N
Compound name
3-bromo-1,1-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.0357 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04298 136.1
[M+Na]+ 213.02492 138.6
[M+NH4]+ 208.06952 143.5
[M+K]+ 228.99886 136.3
[M-H]- 189.02842 137.4
[M+Na-2H]- 211.01037 140.2
[M]+ 190.03515 135.8
[M]- 190.03625 135.8
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