CID 5385347

7464-22-4

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

C/C=C/C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C10H10N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h2-7H,1H3,(H,11,12)/b5-2+

InChIKey

LGWRNIXKHGASPF-GORDUTHDSA-N

Compound name

2-[(E)-prop-1-enyl]-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 158.0844 Da
Monoisotopic Mass: 2.8
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]+	159.09168	132.0
[M+Na]+	181.07362	142.5
[M-H]-	157.07712	133.0
[M+NH4]+	176.11822	152.8
[M+K]+	197.04756	137.7
[M+H-H2O]+	141.08166	125.3
[M+HCOO]-	203.08260	154.5
[M+CH3COO]-	217.09825	145.8
[M+Na-2H]-	179.05907	140.1
[M]+	158.08385	132.1
[M]-	158.08495	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe