CID 155822592

4-(2-bromoethyl)spiro[2.5]octane

Structural Information

Molecular Formula

C₁₀H₁₇Br

SMILES

C1CCC2(CC2)C(C1)CCBr

InChI

InChI=1S/C10H17Br/c11-8-4-9-3-1-2-5-10(9)6-7-10/h9H,1-8H2

InChIKey

TWBIPRCSRQLMFH-UHFFFAOYSA-N

Compound name

8-(2-bromoethyl)spiro[2.5]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.05136 Da
Monoisotopic Mass: 4.5
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]+	217.058636	145.7
[M+Na]+	239.040578	156.5
[M-H]-	215.044084	154.2
[M+NH4]+	234.085183	165.4
[M+K]+	255.014518	146.5
[M+H-H2O]+	199.048620	146.3
[M+HCOO]-	261.049561	163.6
[M+CH3COO]-	275.065211	187.6
[M+Na-2H]-	237.026026	153.1
[M]+	216.05081142	162.0
[M]-	216.05190858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.