CID 78736

5036-48-6

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

C1=CN(C=N1)CCCN

InChI

InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2

InChIKey

KDHWOCLBMVSZPG-UHFFFAOYSA-N

Compound name

3-imidazol-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 11981
Patents: 125.0953 Da
Monoisotopic Mass: -0.6
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]+	126.10258	124.8
[M+Na]+	148.08452	132.5
[M-H]-	124.08802	125.2
[M+NH4]+	143.12912	145.6
[M+K]+	164.05846	131.2
[M+H-H2O]+	108.09256	117.5
[M+HCOO]-	170.09350	148.9
[M+CH3COO]-	184.10915	171.9
[M+Na-2H]-	146.06997	131.6
[M]+	125.09475	123.6
[M]-	125.09585	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe