CID 16768146

3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

CC1=NOC(=N1)CCCN

InChI

InChI=1S/C6H11N3O/c1-5-8-6(10-9-5)3-2-4-7/h2-4,7H2,1H3

InChIKey

YEKKCMQUYOKDQD-UHFFFAOYSA-N

Compound name

3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 141.09021 Da
Monoisotopic Mass: 0.3
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]+	142.09749	128.4
[M+Na]+	164.07943	139.2
[M+NH4]+	159.12403	135.8
[M+K]+	180.05337	136.3
[M-H]-	140.08293	130.1
[M+Na-2H]-	162.06488	133.1
[M]+	141.08966	130.1
[M]-	141.09076	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe