CID 164517250

2-bromo-7-oxaspiro[3.5]nonane

Structural Information

Molecular Formula

SMILES

C1COCCC12CC(C2)Br

InChI

InChI=1S/C8H13BrO/c9-7-5-8(6-7)1-3-10-4-2-8/h7H,1-6H2

InChIKey

JMNVEJUBSPLSKO-UHFFFAOYSA-N

Compound name

2-bromo-7-oxaspiro[3.5]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.01498 Da
Monoisotopic Mass: 2.0
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]+	205.02226	135.1
[M+Na]+	227.00420	133.6
[M+NH4]+	222.04880	139.1
[M+K]+	242.97814	133.9
[M-H]-	203.00770	135.4
[M+Na-2H]-	224.98965	136.9
[M]+	204.01443	133.0
[M]-	204.01553	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.