CID 114818730

8-bromospiro[4.5]decane

Structural Information

Molecular Formula

C₁₀H₁₇Br

SMILES

C1CCC2(C1)CCC(CC2)Br

InChI

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

InChIKey

HANPPERVQTXBFL-UHFFFAOYSA-N

Compound name

8-bromospiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.05136 Da
Monoisotopic Mass: 4.3
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	148.6
[M+Na]+	239.040578	156.9
[M-H]-	215.044084	155.8
[M+NH4]+	234.085183	174.3
[M+K]+	255.014518	146.6
[M+H-H2O]+	199.048620	149.7
[M+HCOO]-	261.049561	165.7
[M+CH3COO]-	275.065211	162.5
[M+Na-2H]-	237.026026	153.4
[M]+	216.05081142	160.0
[M]-	216.05190858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.