CID 53375347

1073549-03-7

Structural Information

Molecular Formula

C₆H₇BrN₂O₂

SMILES

CCOC1=NC(=C(N1)Br)C=O

InChI

InChI=1S/C6H7BrN2O2/c1-2-11-6-8-4(3-10)5(7)9-6/h3H,2H2,1H3,(H,8,9)

InChIKey

AQZYDDPSFIPBNC-UHFFFAOYSA-N

Compound name

5-bromo-2-ethoxy-1H-imidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 217.96909 Da
Monoisotopic Mass: 1.6
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]+	218.976366	135.4
[M+Na]+	240.958308	148.8
[M-H]-	216.961814	138.5
[M+NH4]+	236.002913	156.4
[M+K]+	256.932248	138.1
[M+H-H2O]+	200.966350	135.0
[M+HCOO]-	262.967291	155.9
[M+CH3COO]-	276.982941	181.2
[M+Na-2H]-	238.943756	142.1
[M]+	217.96854142	155.4
[M]-	217.96963858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe