CID 252336

2-nonylbenzimidazole

Structural Information

Molecular Formula

C₁₆H₂₄N₂

SMILES

CCCCCCCCCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C16H24N2/c1-2-3-4-5-6-7-8-13-16-17-14-11-9-10-12-15(14)18-16/h9-12H,2-8,13H2,1H3,(H,17,18)

InChIKey

YECSLYXTXWSKBO-UHFFFAOYSA-N

Compound name

2-nonyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 879
Patents: 244.19395 Da
Monoisotopic Mass: 5.7
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]+	245.20123	160.4
[M+Na]+	267.18317	173.2
[M+NH4]+	262.22777	168.5
[M+K]+	283.15711	165.9
[M-H]-	243.18667	161.8
[M+Na-2H]-	265.16862	166.0
[M]+	244.19340	162.6
[M]-	244.19450	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe