CID 43470279

2241128-16-3

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃

SMILES

CCC(C1=NC2=C(N1)C=C(C=C2)Cl)N

InChI

InChI=1S/C10H12ClN3/c1-2-7(12)10-13-8-4-3-6(11)5-9(8)14-10/h3-5,7H,2,12H2,1H3,(H,13,14)

InChIKey

OOXCUMVDAIKTEP-UHFFFAOYSA-N

Compound name

1-(6-chloro-1H-benzimidazol-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 209.07198 Da
Monoisotopic Mass: 1.9
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]+	210.07926	144.2
[M+Na]+	232.06120	154.7
[M-H]-	208.06470	144.9
[M+NH4]+	227.10580	163.4
[M+K]+	248.03514	148.8
[M+H-H2O]+	192.06924	137.9
[M+HCOO]-	254.07018	161.2
[M+CH3COO]-	268.08583	156.8
[M+Na-2H]-	230.04665	149.2
[M]+	209.07143	145.1
[M]-	209.07253	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe