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

43
Patents

204.05136 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 141.9
[M+Na]+ 227.04058 150.5
[M-H]- 203.04408 147.3
[M+NH4]+ 222.08518 164.6
[M+K]+ 243.01452 140.2
[M+H-H2O]+ 187.04862 142.5
[M+HCOO]- 249.04956 159.7
[M+CH3COO]- 263.06521 184.2
[M+Na-2H]- 225.02603 147.3
[M]+ 204.05081 156.6
[M]- 204.05191 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