CID 53414736

1384079-72-4

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1CNCCC1C2=NOC=N2

InChI

InChI=1S/C7H11N3O/c1-3-8-4-2-6(1)7-9-5-11-10-7/h5-6,8H,1-4H2

InChIKey

ORFXJJVVHVUFCG-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 153.09021 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]+	154.097486	131.4
[M+Na]+	176.079428	137.5
[M-H]-	152.082934	132.5
[M+NH4]+	171.124033	147.5
[M+K]+	192.053368	136.4
[M+H-H2O]+	136.087470	122.8
[M+HCOO]-	198.088411	148.3
[M+CH3COO]-	212.104061	143.2
[M+Na-2H]-	174.064876	137.5
[M]+	153.08966142	126.2
[M]-	153.09075858	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe