CID 66469450

4-(bromomethyl)-1,1-dimethylcyclohexane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC1(CCC(CC1)CBr)C
InChI
InChI=1S/C9H17Br/c1-9(2)5-3-8(7-10)4-6-9/h8H,3-7H2,1-2H3
InChIKey
ZUZBRSXFMYGTEU-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1,1-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

204.05136 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 139.7
[M+Na]+ 227.04058 149.2
[M-H]- 203.04408 145.5
[M+NH4]+ 222.08518 164.3
[M+K]+ 243.01452 139.2
[M+H-H2O]+ 187.04862 141.3
[M+HCOO]- 249.04956 157.6
[M+CH3COO]- 263.06521 183.8
[M+Na-2H]- 225.02603 146.3
[M]+ 204.05081 154.9
[M]- 204.05191 154.9
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