CID 2773257

2-bromo-1-ethoxymethylimidazole

Structural Information

Molecular Formula

C₆H₉BrN₂O

SMILES

CCOCN1C=CN=C1Br

InChI

InChI=1S/C6H9BrN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3

InChIKey

FZLPPSCLJGMJCZ-UHFFFAOYSA-N

Compound name

2-bromo-1-(ethoxymethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.98982 Da
Monoisotopic Mass: 1.3
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]+	204.997096	133.7
[M+Na]+	226.979038	146.6
[M-H]-	202.982544	137.8
[M+NH4]+	222.023643	155.9
[M+K]+	242.952978	137.0
[M+H-H2O]+	186.987080	133.1
[M+HCOO]-	248.988021	155.3
[M+CH3COO]-	263.003671	181.6
[M+Na-2H]-	224.964486	141.5
[M]+	203.98927142	154.6
[M]-	203.99036858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.