CID 45791598

4-chloro-1-ethyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

CCN1C=NC(=C1C=O)Cl

InChI

InChI=1S/C6H7ClN2O/c1-2-9-4-8-6(7)5(9)3-10/h3-4H,2H2,1H3

InChIKey

FMKPOSZJMVKQCA-UHFFFAOYSA-N

Compound name

5-chloro-3-ethylimidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 158.02469 Da
Monoisotopic Mass: 1.1
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]+	159.03197	128.8
[M+Na]+	181.01391	141.9
[M+NH4]+	176.05851	136.9
[M+K]+	196.98785	137.3
[M-H]-	157.01741	128.9
[M+Na-2H]-	178.99936	134.6
[M]+	158.02414	130.8
[M]-	158.02524	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe