CID 271079

5-vinyl-1h-imidazole

Structural Information

Molecular Formula

C₅H₆N₂

SMILES

C=CC1=CN=CN1

InChI

InChI=1S/C5H6N2/c1-2-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)

InChIKey

MHQZDNQHLGFBRN-UHFFFAOYSA-N

Compound name

5-ethenyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1478
Patents: 94.0531 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]+	95.060376	117.2
[M+Na]+	117.04232	128.9
[M+NH4]+	112.08692	125.4
[M+K]+	133.01626	124.7
[M-H]-	93.045824	117.2
[M+Na-2H]-	115.02777	123.4
[M]+	94.052551	118.6
[M]-	94.053649	118.6

Literature stripe

literature stripe

Patent stripe

patents stripe