CID 122164136

(2-bromo-1-methoxyethyl)cyclopentane

Structural Information

Molecular Formula
C8H15BrO
SMILES
COC(CBr)C1CCCC1
InChI
InChI=1S/C8H15BrO/c1-10-8(6-9)7-4-2-3-5-7/h7-8H,2-6H2,1H3
InChIKey
LDKRXSVVYQCAFO-UHFFFAOYSA-N
Compound name
(2-bromo-1-methoxyethyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 145.1
[M+Na]+ 229.01984 154.1
[M-H]- 205.02334 150.6
[M+NH4]+ 224.06444 169.1
[M+K]+ 244.99378 144.8
[M+H-H2O]+ 189.02788 145.5
[M+HCOO]- 251.02882 164.5
[M+CH3COO]- 265.04447 182.7
[M+Na-2H]- 227.00529 149.0
[M]+ 206.03007 161.7
[M]- 206.03117 161.7
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.