CID 165707952

2743432-08-6

Structural Information

Molecular Formula
C10H17BrO2
SMILES
COC(=O)C1CCC(CC1)CCBr
InChI
InChI=1S/C10H17BrO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h8-9H,2-7H2,1H3
InChIKey
OIKOJEDBZVJKKB-UHFFFAOYSA-N
Compound name
methyl 4-(2-bromoethyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04118 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04846 151.1
[M+Na]+ 271.03040 159.2
[M-H]- 247.03390 156.3
[M+NH4]+ 266.07500 171.8
[M+K]+ 287.00434 149.4
[M+H-H2O]+ 231.03844 151.1
[M+HCOO]- 293.03938 168.2
[M+CH3COO]- 307.05503 190.0
[M+Na-2H]- 269.01585 154.8
[M]+ 248.04063 167.5
[M]- 248.04173 167.5
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.