CID 11979

5-methylbenzimidazole

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

CC1=CC2=C(C=C1)N=CN2

InChI

InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)

InChIKey

RWXZXCZBMQPOBF-UHFFFAOYSA-N

Compound name

6-methyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 16
References: 4396
Patents: 132.06874 Da
Monoisotopic Mass: 1.7
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]+	133.07602	123.3
[M+Na]+	155.05796	134.3
[M-H]-	131.06146	124.7
[M+NH4]+	150.10256	145.3
[M+K]+	171.03190	130.7
[M+H-H2O]+	115.06600	117.0
[M+HCOO]-	177.06694	146.4
[M+CH3COO]-	191.08259	138.0
[M+Na-2H]-	153.04341	132.6
[M]+	132.06819	123.5
[M]-	132.06929	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe