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

23
Patents

190.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04298 136.3
[M+Na]+ 213.02492 145.4
[M-H]- 189.02842 142.0
[M+NH4]+ 208.06952 161.2
[M+K]+ 228.99886 135.6
[M+H-H2O]+ 173.03296 137.9
[M+HCOO]- 235.03390 154.6
[M+CH3COO]- 249.04955 180.0
[M+Na-2H]- 211.01037 144.0
[M]+ 190.03515 150.8
[M]- 190.03625 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