CID 123184

3204-31-7

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: 507
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]+	149.107326	130.5
[M+Na]+	171.089268	140.3
[M-H]-	147.092774	132.7
[M+NH4]+	166.133873	152.6
[M+K]+	187.063208	137.8
[M+H-H2O]+	131.097310	123.9
[M+HCOO]-	193.098251	151.8
[M+CH3COO]-	207.113901	144.6
[M+Na-2H]-	169.074716	136.8
[M]+	148.09950142	130.4
[M]-	148.10059858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe