CID 42614774

1-(bromomethyl)-1-methylcyclohexane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC1(CCCCC1)CBr
InChI
InChI=1S/C8H15Br/c1-8(7-9)5-3-2-4-6-8/h2-7H2,1H3
InChIKey
QGSSEDLIZIGPGG-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

190.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 136.3
[M+Na]+ 213.024918 145.4
[M-H]- 189.028424 142.0
[M+NH4]+ 208.069523 161.2
[M+K]+ 228.998858 135.6
[M+H-H2O]+ 173.032960 137.9
[M+HCOO]- 235.033901 154.6
[M+CH3COO]- 249.049551 180.0
[M+Na-2H]- 211.010366 144.0
[M]+ 190.03515142 150.8
[M]- 190.03624858 150.8
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