CID 123184

1,3-dimethylbenzimidazoline

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CN1CN(C2=CC=CC=C21)C

InChI

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

InChIKey

GEPFDEGNEBYCSR-UHFFFAOYSA-N

Compound name

1,3-dimethyl-2H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 434
Patents: 148.10005 Da
Monoisotopic Mass: 2.0
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]+	149.10733	130.7
[M+Na]+	171.08927	144.1
[M+NH4]+	166.13387	140.3
[M+K]+	187.06321	138.8
[M-H]-	147.09277	132.6
[M+Na-2H]-	169.07472	136.8
[M]+	148.09950	133.1
[M]-	148.10060	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe