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 135.1
[M+Na]+ 213.02492 145.0
[M-H]- 189.02842 141.1
[M+NH4]+ 208.06952 160.3
[M+K]+ 228.99886 135.3
[M+H-H2O]+ 173.03296 136.9
[M+HCOO]- 235.03390 153.4
[M+CH3COO]- 249.04955 181.0
[M+Na-2H]- 211.01037 142.3
[M]+ 190.03515 150.0
[M]- 190.03625 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