CID 122164135

(2-bromo-1-methoxyethyl)cyclohexane

Structural Information

Molecular Formula
C9H17BrO
SMILES
COC(CBr)C1CCCCC1
InChI
InChI=1S/C9H17BrO/c1-11-9(7-10)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
InChIKey
OLTZMHWMEBELEV-UHFFFAOYSA-N
Compound name
(2-bromo-1-methoxyethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04628 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05356 142.7
[M+Na]+ 243.03550 143.9
[M+NH4]+ 238.08010 148.1
[M+K]+ 259.00944 143.7
[M-H]- 219.03900 143.3
[M+Na-2H]- 241.02095 144.7
[M]+ 220.04573 141.7
[M]- 220.04683 141.7
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.