CID 22121

2-isopropylbenzimidazole

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CC(C)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12)

InChIKey

RITUGMAIQCZEOG-UHFFFAOYSA-N

Compound name

2-propan-2-yl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1195
Patents: 160.10005 Da
Monoisotopic Mass: 2.9
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]+	161.10733	133.3
[M+Na]+	183.08927	143.0
[M-H]-	159.09277	134.4
[M+NH4]+	178.13387	154.0
[M+K]+	199.06321	139.4
[M+H-H2O]+	143.09731	126.6
[M+HCOO]-	205.09825	154.6
[M+CH3COO]-	219.11390	146.9
[M+Na-2H]-	181.07472	140.2
[M]+	160.09950	133.5
[M]-	160.10060	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe