CID 63031817

2243512-66-3

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

C1CC1C2=NOC(=N2)C3CCNC3

InChI

InChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2

InChIKey

UHWKRAJPWOGTQP-UHFFFAOYSA-N

Compound name

3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 179.10587 Da
Monoisotopic Mass: 0.5
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]+	180.11315	142.6
[M+Na]+	202.09509	154.7
[M+NH4]+	197.13969	150.9
[M+K]+	218.06903	154.3
[M-H]-	178.09859	152.7
[M+Na-2H]-	200.08054	150.5
[M]+	179.10532	148.1
[M]-	179.10642	148.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.