CID 11666350

684283-51-0

Structural Information

Molecular Formula

C₁₃H₁₉N₂

SMILES

CC(C)N1C=[N+](C2=CC=CC=C21)C(C)C

InChI

InChI=1S/C13H19N2/c1-10(2)14-9-15(11(3)4)13-8-6-5-7-12(13)14/h5-11H,1-4H3/q+1

InChIKey

DMGKPCMBRRUHNU-UHFFFAOYSA-N

Compound name

1,3-di(propan-2-yl)benzimidazol-3-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 203.15483 Da
Monoisotopic Mass: 3.0
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]+	204.16211	147.6
[M+Na]+	226.14405	156.9
[M-H]-	202.14755	150.4
[M+NH4]+	221.18865	167.2
[M+K]+	242.11799	148.6
[M+H-H2O]+	186.15209	143.2
[M+HCOO]-	248.15303	168.0
[M+CH3COO]-	262.16868	183.2
[M+Na-2H]-	224.12950	153.8
[M]+	203.15428	149.2
[M]-	203.15538	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe