CID 121602400

1-(2-hydroxyethyl)-1h-imidazole-4-carbaldehyde

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

C1=C(N=CN1CCO)C=O

InChI

InChI=1S/C6H8N2O2/c9-2-1-8-3-6(4-10)7-5-8/h3-5,9H,1-2H2

InChIKey

DHXICFHDKHRNAA-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)imidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.05858 Da
Monoisotopic Mass: -0.9
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]+	141.065856	126.2
[M+Na]+	163.047798	135.5
[M-H]-	139.051304	126.1
[M+NH4]+	158.092403	146.4
[M+K]+	179.021738	134.0
[M+H-H2O]+	123.055840	119.7
[M+HCOO]-	185.056781	149.0
[M+CH3COO]-	199.072431	169.4
[M+Na-2H]-	161.033246	132.4
[M]+	140.05803142	127.4
[M]-	140.05912858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.