CID 15217371

1-(bromomethyl)-4-ethylcyclohexane

Structural Information

Molecular Formula
C9H17Br
SMILES
CCC1CCC(CC1)CBr
InChI
InChI=1S/C9H17Br/c1-2-8-3-5-9(7-10)6-4-8/h8-9H,2-7H2,1H3
InChIKey
GTTAKDFRWSHWKT-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-ethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 141.9
[M+Na]+ 227.040578 150.5
[M-H]- 203.044084 147.3
[M+NH4]+ 222.085183 164.6
[M+K]+ 243.014518 140.2
[M+H-H2O]+ 187.048620 142.5
[M+HCOO]- 249.049561 159.7
[M+CH3COO]- 263.065211 184.2
[M+Na-2H]- 225.026026 147.3
[M]+ 204.05081142 156.6
[M]- 204.05190858 156.6
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