CID 485094

1-ethyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

CCN1C=NC2=CC=CC=C21

InChI

InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3

InChIKey

WVNMLOGVAVGQIT-UHFFFAOYSA-N

Compound name

1-ethylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1591
Patents: 146.0844 Da
Monoisotopic Mass: 1.7
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]+	147.091676	127.4
[M+Na]+	169.073618	138.4
[M-H]-	145.077124	130.0
[M+NH4]+	164.118223	149.5
[M+K]+	185.047558	135.5
[M+H-H2O]+	129.081660	120.6
[M+HCOO]-	191.082601	151.6
[M+CH3COO]-	205.098251	142.3
[M+Na-2H]-	167.059066	136.6
[M]+	146.08385142	129.8
[M]-	146.08494858	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe