CID 86015011

3-(bromomethyl)-2-oxaspiro[4.5]decane

Structural Information

Molecular Formula

C₁₀H₁₇BrO

SMILES

C1CCC2(CC1)CC(OC2)CBr

InChI

InChI=1S/C10H17BrO/c11-7-9-6-10(8-12-9)4-2-1-3-5-10/h9H,1-8H2

InChIKey

PTRHQEJVWWNBCP-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-2-oxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.04628 Da
Monoisotopic Mass: 3.3
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]+	233.053556	150.8
[M+Na]+	255.035498	159.1
[M-H]-	231.039004	158.5
[M+NH4]+	250.080103	174.6
[M+K]+	271.009438	150.1
[M+H-H2O]+	215.043540	152.0
[M+HCOO]-	277.044481	167.2
[M+CH3COO]-	291.060131	184.1
[M+Na-2H]-	253.020946	156.5
[M]+	232.04573142	164.2
[M]-	232.04682858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.