CID 755555

1-ethyl-1h-benzimidazole-2-thiol

Structural Information

Molecular Formula

C₉H₁₀N₂S

SMILES

CCN1C2=CC=CC=C2NC1=S

InChI

InChI=1S/C9H10N2S/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)

InChIKey

UAVKJJWZLWPSMK-UHFFFAOYSA-N

Compound name

3-ethyl-1H-benzimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 981
Patents: 178.05647 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]+	179.063746	134.0
[M+Na]+	201.045688	146.5
[M-H]-	177.049194	135.9
[M+NH4]+	196.090293	155.2
[M+K]+	217.019628	141.3
[M+H-H2O]+	161.053730	128.4
[M+HCOO]-	223.054671	151.8
[M+CH3COO]-	237.070321	148.2
[M+Na-2H]-	199.031136	138.5
[M]+	178.05592142	136.7
[M]-	178.05701858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe