CID 65438347

1-(bromomethyl)-3-methylcyclohexane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC1CCCC(C1)CBr
InChI
InChI=1S/C8H15Br/c1-7-3-2-4-8(5-7)6-9/h7-8H,2-6H2,1H3
InChIKey
BGOJDDZASWXFTE-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-methylcyclohexane
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 137.3
[M+Na]+ 213.02492 146.3
[M-H]- 189.02842 142.8
[M+NH4]+ 208.06952 160.5
[M+K]+ 228.99886 136.3
[M+H-H2O]+ 173.03296 138.1
[M+HCOO]- 235.03390 155.4
[M+CH3COO]- 249.04955 181.4
[M+Na-2H]- 211.01037 143.3
[M]+ 190.03515 151.6
[M]- 190.03625 151.6
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