CID 13567341

4,5-dimethyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

CC1=C(C2=C(C=C1)NC=N2)C

InChI

InChI=1S/C9H10N2/c1-6-3-4-8-9(7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)

InChIKey

GRQDMLVPPFIGCI-UHFFFAOYSA-N

Compound name

4,5-dimethyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 133
Patents: 146.0844 Da
Monoisotopic Mass: 2.2
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]+	147.09168	128.0
[M+Na]+	169.07362	139.6
[M-H]-	145.07712	129.6
[M+NH4]+	164.11822	149.7
[M+K]+	185.04756	135.6
[M+H-H2O]+	129.08166	121.8
[M+HCOO]-	191.08260	150.7
[M+CH3COO]-	205.09825	142.6
[M+Na-2H]-	167.05907	136.0
[M]+	146.08385	129.0
[M]-	146.08495	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe