CID 21624

2-propylbenzimidazole

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CCCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)

InChIKey

FBLJZPQLNMVEMR-UHFFFAOYSA-N

Compound name

2-propyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 680
Patents: 160.10005 Da
Monoisotopic Mass: 2.5
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]+	161.107326	132.7
[M+Na]+	183.089268	142.8
[M-H]-	159.092774	133.7
[M+NH4]+	178.133873	153.5
[M+K]+	199.063208	138.7
[M+H-H2O]+	143.097310	126.0
[M+HCOO]-	205.098251	155.0
[M+CH3COO]-	219.113901	146.4
[M+Na-2H]-	181.074716	140.8
[M]+	160.09950142	133.6
[M]-	160.10059858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe