CID 79853297

2-(bromomethyl)-1,1-dimethylcyclohexane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC1(CCCCC1CBr)C
InChI
InChI=1S/C9H17Br/c1-9(2)6-4-3-5-8(9)7-10/h8H,3-7H2,1-2H3
InChIKey
IUDMLKDDOBZADK-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,1-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

204.05136 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 139.7
[M+Na]+ 227.040578 149.2
[M-H]- 203.044084 145.5
[M+NH4]+ 222.085183 164.3
[M+K]+ 243.014518 139.2
[M+H-H2O]+ 187.048620 141.3
[M+HCOO]- 249.049561 157.6
[M+CH3COO]- 263.065211 183.8
[M+Na-2H]- 225.026026 146.3
[M]+ 204.05081142 154.9
[M]- 204.05190858 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