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

1
Annotation Hits: 0
References: 301
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]+	171.09168	135.0
[M+Na]+	193.07362	144.2
[M-H]-	169.07712	139.3
[M+NH4]+	188.11822	154.5
[M+K]+	209.04756	140.4
[M+H-H2O]+	153.08166	127.0
[M+HCOO]-	215.08260	158.8
[M+CH3COO]-	229.09825	148.8
[M+Na-2H]-	191.05907	141.4
[M]+	170.08385	134.5
[M]-	170.08495	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe