CID 76109

2-methyl-1-vinylimidazole

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

CC1=NC=CN1C=C

InChI

InChI=1S/C6H8N2/c1-3-8-5-4-7-6(8)2/h3-5H,1H2,2H3

InChIKey

BDHGFCVQWMDIQX-UHFFFAOYSA-N

Compound name

1-ethenyl-2-methylimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10746
Patents: 108.06875 Da
Monoisotopic Mass: 1.0
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]+	109.076026	119.2
[M+Na]+	131.057968	129.1
[M-H]-	107.061474	120.5
[M+NH4]+	126.102573	141.5
[M+K]+	147.031908	127.6
[M+H-H2O]+	91.066010	112.8
[M+HCOO]-	153.066951	143.0
[M+CH3COO]-	167.082601	168.1
[M+Na-2H]-	129.043416	125.9
[M]+	108.06820142	119.4
[M]-	108.06929858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe