CID 3014750

Akos028110074

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CN1CN(C=C1)C=C

InChI

InChI=1S/C6H10N2/c1-3-8-5-4-7(2)6-8/h3-5H,1,6H2,2H3

InChIKey

WLWHLUQQCLCFNE-UHFFFAOYSA-N

Compound name

1-ethenyl-3-methyl-2H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3443
Patents: 110.0844 Da
Monoisotopic Mass: 1.1
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]+	111.091676	121.4
[M+Na]+	133.073618	130.3
[M-H]-	109.077124	122.3
[M+NH4]+	128.118223	143.6
[M+K]+	149.047558	129.1
[M+H-H2O]+	93.081660	115.0
[M+HCOO]-	155.082601	143.8
[M+CH3COO]-	169.098251	168.4
[M+Na-2H]-	131.059066	127.1
[M]+	110.08385142	120.2
[M]-	110.08494858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe