CID 3062840

Cyclooctanol, 1-(2-bromoethynyl)-

Structural Information

Molecular Formula

C₁₀H₁₅BrO

SMILES

C1CCCC(CCC1)(C#CBr)O

InChI

InChI=1S/C10H15BrO/c11-9-8-10(12)6-4-2-1-3-5-7-10/h12H,1-7H2

InChIKey

IOQRRJOJNOJTFY-UHFFFAOYSA-N

Compound name

1-(2-bromoethynyl)cyclooctan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.03062 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.03790	147.8
[M+Na]+	253.01984	154.3
[M-H]-	229.02334	149.0
[M+NH4]+	248.06444	156.9
[M+K]+	268.99378	149.5
[M+H-H2O]+	213.02788	145.0
[M+HCOO]-	275.02882	154.0
[M+CH3COO]-	289.04447	225.6
[M+Na-2H]-	251.00529	148.6
[M]+	230.03007	150.7
[M]-	230.03117	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.