CID 66130

2-ethylimidazole

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CCC1=NC=CN1

InChI

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

InChIKey

PQAMFDRRWURCFQ-UHFFFAOYSA-N

Compound name

2-ethyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 31
References: 30122
Patents: 96.06875 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]+	97.076026	117.1
[M+Na]+	119.05797	125.7
[M-H]-	95.061474	116.7
[M+NH4]+	114.10257	138.9
[M+K]+	135.03191	124.2
[M+H-H2O]+	79.066010	110.7
[M+HCOO]-	141.06695	139.6
[M+CH3COO]-	155.08260	162.2
[M+Na-2H]-	117.04342	124.5
[M]+	96.068201	115.4
[M]-	96.069299	115.4

Literature stripe

literature stripe

Patent stripe

patents stripe