CID 109490

68123-39-7

Structural Information

Molecular Formula

C₁₂H₁₇N₂

SMILES

CCN1C(=[N+](C2=CC=CC=C21)CC)C

InChI

InChI=1S/C12H17N2/c1-4-13-10(3)14(5-2)12-9-7-6-8-11(12)13/h6-9H,4-5H2,1-3H3/q+1

InChIKey

YEQZDWAAWCZZFB-UHFFFAOYSA-N

Compound name

1,3-diethyl-2-methylbenzimidazol-3-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 189.13918 Da
Monoisotopic Mass: 2.6
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]+	190.14646	142.5
[M+Na]+	212.12840	153.8
[M-H]-	188.13190	145.6
[M+NH4]+	207.17300	163.2
[M+K]+	228.10234	144.8
[M+H-H2O]+	172.13644	138.4
[M+HCOO]-	234.13738	165.3
[M+CH3COO]-	248.15303	179.8
[M+Na-2H]-	210.11385	150.9
[M]+	189.13863	145.4
[M]-	189.13973	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe