CID 13460364

1-(bromomethyl)-4-methylcyclohexane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC1CCC(CC1)CBr
InChI
InChI=1S/C8H15Br/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6H2,1H3
InChIKey
CGJQBQWGDRNEDA-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
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

literature stripe

Patent stripe

patents stripe