CID 66469252

1-(bromomethyl)-3,5-dimethylcyclohexane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC1CC(CC(C1)CBr)C
InChI
InChI=1S/C9H17Br/c1-7-3-8(2)5-9(4-7)6-10/h7-9H,3-6H2,1-2H3
InChIKey
XCIZWQDVIMXDGQ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,5-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05136 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 141.0
[M+Na]+ 227.04058 150.6
[M-H]- 203.04408 146.8
[M+NH4]+ 222.08518 164.0
[M+K]+ 243.01452 140.3
[M+H-H2O]+ 187.04862 141.8
[M+HCOO]- 249.04956 158.9
[M+CH3COO]- 263.06521 185.2
[M+Na-2H]- 225.02603 145.9
[M]+ 204.05081 156.1
[M]- 204.05191 156.1
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

No patent data available for this compound.