CID 15110479

3-(azetidin-1-yl)propan-1-amine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CN(C1)CCCN

InChI

InChI=1S/C6H14N2/c7-3-1-4-8-5-2-6-8/h1-7H2

InChIKey

YFZGXSSOURPKGL-UHFFFAOYSA-N

Compound name

3-(azetidin-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 114.1157 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]+	115.12298	124.8
[M+Na]+	137.10492	129.5
[M-H]-	113.10842	126.0
[M+NH4]+	132.14952	139.1
[M+K]+	153.07886	131.8
[M+H-H2O]+	97.112960	113.4
[M+HCOO]-	159.11390	145.9
[M+CH3COO]-	173.12955	175.5
[M+Na-2H]-	135.09037	130.8
[M]+	114.11515	130.5
[M]-	114.11625	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe