CID 13290797

33544-86-4

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

C1=CN=C(N1)CCCN

InChI

InChI=1S/C6H11N3/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2,(H,8,9)

InChIKey

HQNOODJDSFSURF-UHFFFAOYSA-N

Compound name

3-(1H-imidazol-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3117
Patents: 125.0953 Da
Monoisotopic Mass: -0.2
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]+	126.102576	125.4
[M+Na]+	148.084518	132.7
[M-H]-	124.088024	124.4
[M+NH4]+	143.129123	145.4
[M+K]+	164.058458	130.4
[M+H-H2O]+	108.092560	118.3
[M+HCOO]-	170.093501	148.0
[M+CH3COO]-	184.109151	169.3
[M+Na-2H]-	146.069966	131.7
[M]+	125.09475142	122.3
[M]-	125.09584858	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe