CID 76108

2851-94-7

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

C=CN1C=CN=C1C2=CC=CC=C2

InChI

InChI=1S/C11H10N2/c1-2-13-9-8-12-11(13)10-6-4-3-5-7-10/h2-9H,1H2

InChIKey

HAWZITGJTUAVQW-UHFFFAOYSA-N

Compound name

1-ethenyl-2-phenylimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 254
Patents: 170.0844 Da
Monoisotopic Mass: 2.3
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]+	171.091676	135.0
[M+Na]+	193.073618	144.2
[M-H]-	169.077124	139.3
[M+NH4]+	188.118223	154.5
[M+K]+	209.047558	140.4
[M+H-H2O]+	153.081660	127.0
[M+HCOO]-	215.082601	158.8
[M+CH3COO]-	229.098251	148.8
[M+Na-2H]-	191.059066	141.4
[M]+	170.08385142	134.5
[M]-	170.08494858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe