CID 66520752

4-bromo-1-(oxolan-3-yl)-1h-imidazole

Structural Information

Molecular Formula

C₇H₉BrN₂O

SMILES

C1COCC1N2C=C(N=C2)Br

InChI

InChI=1S/C7H9BrN2O/c8-7-3-10(5-9-7)6-1-2-11-4-6/h3,5-6H,1-2,4H2

InChIKey

BUAYYDBXGOTBFO-UHFFFAOYSA-N

Compound name

4-bromo-1-(oxolan-3-yl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.98982 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]+	216.997096	140.0
[M+Na]+	238.979038	151.7
[M-H]-	214.982544	147.4
[M+NH4]+	234.023643	161.7
[M+K]+	254.952978	143.6
[M+H-H2O]+	198.987080	139.6
[M+HCOO]-	260.988021	159.9
[M+CH3COO]-	275.003671	155.5
[M+Na-2H]-	236.964486	145.4
[M]+	215.98927142	157.5
[M]-	215.99036858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe