CID 199169

1,2,3-trimethylbenzimidazolium iodide

Structural Information

Molecular Formula

C₁₀H₁₃N₂

SMILES

CC1=[N+](C2=CC=CC=C2N1C)C

InChI

InChI=1S/C10H13N2/c1-8-11(2)9-6-4-5-7-10(9)12(8)3/h4-7H,1-3H3/q+1

InChIKey

ZZWIVZMYSVNULV-UHFFFAOYSA-N

Compound name

1,2,3-trimethylbenzimidazol-3-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 110
Patents: 161.10788 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]+	162.11516	132.7
[M+Na]+	184.09710	145.0
[M-H]-	160.10060	136.2
[M+NH4]+	179.14170	154.6
[M+K]+	200.07104	136.4
[M+H-H2O]+	144.10514	129.1
[M+HCOO]-	206.10608	156.2
[M+CH3COO]-	220.12173	173.8
[M+Na-2H]-	182.08255	142.3
[M]+	161.10733	135.0
[M]-	161.10843	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe