CID 36154

R 1095

Structural Information

Molecular Formula

C₉H₁₅N₃O

SMILES

CC(CC1=NN=CO1)C2CCCN2

InChI

InChI=1S/C9H15N3O/c1-7(8-3-2-4-10-8)5-9-12-11-6-13-9/h6-8,10H,2-5H2,1H3

InChIKey

CQTKVYHURMMRPR-UHFFFAOYSA-N

Compound name

2-(2-pyrrolidin-2-ylpropyl)-1,3,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.1215 Da
Monoisotopic Mass: 1.0
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	140.8
[M+Na]+	204.11072	150.2
[M+NH4]+	199.15532	147.8
[M+K]+	220.08466	149.5
[M-H]-	180.11422	142.3
[M+Na-2H]-	202.09617	145.0
[M]+	181.12095	142.2
[M]-	181.12205	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.