CID 3018204

1-ethyl-2,3-dihydro-1h-benzimidazole

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CCN1CNC2=CC=CC=C21

InChI

InChI=1S/C9H12N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-6,10H,2,7H2,1H3

InChIKey

GTBRPZPCQWOPPO-UHFFFAOYSA-N

Compound name

3-ethyl-1,2-dihydrobenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 148.10005 Da
Monoisotopic Mass: 2.3
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]+	149.107326	131.2
[M+Na]+	171.089268	139.7
[M-H]-	147.092774	131.6
[M+NH4]+	166.133873	152.2
[M+K]+	187.063208	136.3
[M+H-H2O]+	131.097310	124.5
[M+HCOO]-	193.098251	151.0
[M+CH3COO]-	207.113901	144.2
[M+Na-2H]-	169.074716	137.8
[M]+	148.09950142	128.8
[M]-	148.10059858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe