CID 45588153

1065483-60-4

Structural Information

Molecular Formula

C₈H₁₁BrN₂O

SMILES

C1CCOC(C1)N2C=CN=C2Br

InChI

InChI=1S/C8H11BrN2O/c9-8-10-4-5-11(8)7-3-1-2-6-12-7/h4-5,7H,1-3,6H2

InChIKey

YYBSLCMICUQPIA-UHFFFAOYSA-N

Compound name

2-bromo-1-(oxan-2-yl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.00548 Da
Monoisotopic Mass: 1.8
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]+	231.01276	146.9
[M+Na]+	252.99470	149.5
[M+NH4]+	248.03930	151.7
[M+K]+	268.96864	151.1
[M-H]-	228.99820	148.8
[M+Na-2H]-	250.98015	149.6
[M]+	230.00493	146.5
[M]-	230.00603	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.