CID 20515389

1368373-45-8

Structural Information

Molecular Formula

C₁₀H₁₇N₃

SMILES

C1CCC2=C(C1)N=CN2CCCN

InChI

InChI=1S/C10H17N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h8H,1-7,11H2

InChIKey

APBFJYRABCTHKX-UHFFFAOYSA-N

Compound name

3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 179.14224 Da
Monoisotopic Mass: 0.4
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]+	180.149516	140.5
[M+Na]+	202.131458	146.9
[M-H]-	178.134964	141.1
[M+NH4]+	197.176063	160.2
[M+K]+	218.105398	144.0
[M+H-H2O]+	162.139500	132.8
[M+HCOO]-	224.140441	160.4
[M+CH3COO]-	238.156091	183.1
[M+Na-2H]-	200.116906	145.4
[M]+	179.14169142	137.2
[M]-	179.14278858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe