CID 162387

39650-63-0

Structural Information

Molecular Formula

C₁₂H₁₇N₃

SMILES

C1=CC=C2C(=C1)NC(=N2)CCCCCN

InChI

InChI=1S/C12H17N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15)

InChIKey

XTJRXHPNZGDOGE-UHFFFAOYSA-N

Compound name

5-(1H-benzimidazol-2-yl)pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 68
Patents: 203.14224 Da
Monoisotopic Mass: 1.7
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]+	204.14952	145.3
[M+Na]+	226.13146	153.6
[M-H]-	202.13496	145.4
[M+NH4]+	221.17606	163.7
[M+K]+	242.10540	148.6
[M+H-H2O]+	186.13950	137.8
[M+HCOO]-	248.14044	167.4
[M+CH3COO]-	262.15609	185.6
[M+Na-2H]-	224.11691	151.9
[M]+	203.14169	145.2
[M]-	203.14279	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe