CID 45078472

34580-82-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC(C1=NC2=CC=CC=C2N1)OC

InChI

InChI=1S/C10H12N2O/c1-7(13-2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12)

InChIKey

SCNIZJJJBSCYAV-UHFFFAOYSA-N

Compound name

2-(1-methoxyethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 176.09496 Da
Monoisotopic Mass: 1.8
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]+	177.10224	136.5
[M+Na]+	199.08418	146.2
[M-H]-	175.08768	137.6
[M+NH4]+	194.12878	156.5
[M+K]+	215.05812	143.0
[M+H-H2O]+	159.09222	129.7
[M+HCOO]-	221.09316	158.0
[M+CH3COO]-	235.10881	178.2
[M+Na-2H]-	197.06963	143.4
[M]+	176.09441	138.1
[M]-	176.09551	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe