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]+ 191.042976 137.3
[M+Na]+ 213.024918 146.3
[M-H]- 189.028424 142.8
[M+NH4]+ 208.069523 160.5
[M+K]+ 228.998858 136.3
[M+H-H2O]+ 173.032960 138.1
[M+HCOO]- 235.033901 155.4
[M+CH3COO]- 249.049551 181.4
[M+Na-2H]- 211.010366 143.3
[M]+ 190.03515142 151.6
[M]- 190.03624858 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