CID 24950192

5-(piperidin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

C1CNCCC1C2=NNC(=O)O2

InChI

InChI=1S/C7H11N3O2/c11-7-10-9-6(12-7)5-1-3-8-4-2-5/h5,8H,1-4H2,(H,10,11)

InChIKey

QMIAMKPZGHFEJM-UHFFFAOYSA-N

Compound name

5-piperidin-4-yl-3H-1,3,4-oxadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 169.08513 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]+	170.092406	135.0
[M+Na]+	192.074348	141.8
[M-H]-	168.077854	135.2
[M+NH4]+	187.118953	149.9
[M+K]+	208.048288	139.6
[M+H-H2O]+	152.082390	126.8
[M+HCOO]-	214.083331	150.7
[M+CH3COO]-	228.098981	146.3
[M+Na-2H]-	190.059796	139.8
[M]+	169.08458142	129.0
[M]-	169.08567858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe