CID 81540

1-ethylimidazole

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CCN1C=CN=C1

InChI

InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3

InChIKey

IWDFHWZHHOSSGR-UHFFFAOYSA-N

Compound name

1-ethylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 12425
Patents: 96.06875 Da
Monoisotopic Mass: 0.3
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]+	97.076026	116.1
[M+Na]+	119.05797	125.2
[M-H]-	95.061474	117.2
[M+NH4]+	114.10257	138.7
[M+K]+	135.03191	124.7
[M+H-H2O]+	79.066010	109.6
[M+HCOO]-	141.06695	140.1
[M+CH3COO]-	155.08260	164.9
[M+Na-2H]-	117.04342	124.1
[M]+	96.068201	116.3
[M]-	96.069299	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe