CID 134287

2-ethyl-5-methyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CCC1=NC2=C(N1)C=C(C=C2)C

InChI

InChI=1S/C10H12N2/c1-3-10-11-8-5-4-7(2)6-9(8)12-10/h4-6H,3H2,1-2H3,(H,11,12)

InChIKey

ICWSZURISQHRLN-UHFFFAOYSA-N

Compound name

2-ethyl-6-methyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 160.10005 Da
Monoisotopic Mass: 2.7
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]+	161.107326	132.7
[M+Na]+	183.089268	143.8
[M-H]-	159.092774	134.1
[M+NH4]+	178.133873	153.9
[M+K]+	199.063208	139.7
[M+H-H2O]+	143.097310	126.3
[M+HCOO]-	205.098251	155.1
[M+CH3COO]-	219.113901	146.9
[M+Na-2H]-	181.074716	140.1
[M]+	160.09950142	134.0
[M]-	160.10059858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe