CID 12237495

4-bromo-2-methyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula

C₅H₅BrN₂O

SMILES

CC1=NC(=C(N1)Br)C=O

InChI

InChI=1S/C5H5BrN2O/c1-3-7-4(2-9)5(6)8-3/h2H,1H3,(H,7,8)

InChIKey

IFOPBULHZKLANX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 187.95853 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]+	188.965806	128.4
[M+Na]+	210.947748	142.4
[M-H]-	186.951254	131.8
[M+NH4]+	205.992353	150.7
[M+K]+	226.921688	131.5
[M+H-H2O]+	170.955790	128.5
[M+HCOO]-	232.956731	149.1
[M+CH3COO]-	246.972381	176.5
[M+Na-2H]-	208.933196	135.6
[M]+	187.95798142	146.8
[M]-	187.95907858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe