CID 12707506

78508-36-8

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CCCNC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C10H13N3/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H2,11,12,13)

InChIKey

UIEPRPJYIUANQO-UHFFFAOYSA-N

Compound name

N-propyl-1H-benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 175.11095 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]+	176.118226	135.9
[M+Na]+	198.100168	145.1
[M-H]-	174.103674	136.8
[M+NH4]+	193.144773	155.7
[M+K]+	214.074108	140.8
[M+H-H2O]+	158.108210	128.7
[M+HCOO]-	220.109151	159.3
[M+CH3COO]-	234.124801	149.1
[M+Na-2H]-	196.085616	144.6
[M]+	175.11040142	136.1
[M]-	175.11149858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe