CID 64150578

88933-44-2

Structural Information

Molecular Formula

C₉H₁₇N₃

SMILES

CCCC1=NC=CN1CCCN

InChI

InChI=1S/C9H17N3/c1-2-4-9-11-6-8-12(9)7-3-5-10/h6,8H,2-5,7,10H2,1H3

InChIKey

HUJHOLGCXKBRLW-UHFFFAOYSA-N

Compound name

3-(2-propylimidazol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 167.14224 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]+	168.14952	138.4
[M+Na]+	190.13146	148.6
[M+NH4]+	185.17606	145.9
[M+K]+	206.10540	144.2
[M-H]-	166.13496	139.2
[M+Na-2H]-	188.11691	143.3
[M]+	167.14169	139.8
[M]-	167.14279	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe