CID 45791260

1609403-11-3

Structural Information

Molecular Formula

C₉H₁₅N₃O

SMILES

CC1=NC(=NO1)CC2CCNCC2

InChI

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

InChIKey

YUNTVXGBYBLEKS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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]+	182.12878	140.9
[M+Na]+	204.11072	147.1
[M-H]-	180.11422	142.1
[M+NH4]+	199.15532	156.3
[M+K]+	220.08466	145.5
[M+H-H2O]+	164.11876	132.3
[M+HCOO]-	226.11970	157.2
[M+CH3COO]-	240.13535	152.2
[M+Na-2H]-	202.09617	145.1
[M]+	181.12095	136.8
[M]-	181.12205	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe