CID 50988179

1258650-44-0

Structural Information

Molecular Formula

C₉H₁₅N₃O

SMILES

CC1=NC(=NO1)CC2CCCNC2

InChI

InChI=1S/C9H15N3O/c1-7-11-9(12-13-7)5-8-3-2-4-10-6-8/h8,10H,2-6H2,1H3

InChIKey

UIVPKOOMHSYUNJ-UHFFFAOYSA-N

Compound name

5-methyl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 181.1215 Da
Monoisotopic Mass: 1.2
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]+	182.128776	140.9
[M+Na]+	204.110718	147.1
[M-H]-	180.114224	142.1
[M+NH4]+	199.155323	156.3
[M+K]+	220.084658	145.5
[M+H-H2O]+	164.118760	132.3
[M+HCOO]-	226.119701	157.2
[M+CH3COO]-	240.135351	152.2
[M+Na-2H]-	202.096166	145.1
[M]+	181.12095142	136.8
[M]-	181.12204858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe