CID 17141139

1147190-07-5

Structural Information

Molecular Formula

C₈H₁₄BrNO

SMILES

C1CNCCC12CC(CO2)Br

InChI

InChI=1S/C8H14BrNO/c9-7-5-8(11-6-7)1-3-10-4-2-8/h7,10H,1-6H2

InChIKey

RQNCOCBSTBVUCB-UHFFFAOYSA-N

Compound name

3-bromo-1-oxa-8-azaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 219.02588 Da
Monoisotopic Mass: 1.0
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]+	220.03316	144.9
[M+Na]+	242.01510	153.5
[M-H]-	218.01860	150.2
[M+NH4]+	237.05970	167.3
[M+K]+	257.98904	144.2
[M+H-H2O]+	202.02314	145.6
[M+HCOO]-	264.02408	159.3
[M+CH3COO]-	278.03973	158.3
[M+Na-2H]-	240.00055	151.2
[M]+	219.02533	156.5
[M]-	219.02643	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe