CID 2761145

849925-00-4

Structural Information

Molecular Formula

C₁₁H₁₃N₅O

SMILES

C1CNCCC1C2=NC(=NO2)C3=NC=CN=C3

InChI

InChI=1S/C11H13N5O/c1-3-12-4-2-8(1)11-15-10(16-17-11)9-7-13-5-6-14-9/h5-8,12H,1-4H2

InChIKey

KYFNBVXPLAKRKM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 231.11201 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]+	232.11929	152.0
[M+Na]+	254.10123	165.4
[M+NH4]+	249.14583	158.5
[M+K]+	270.07517	161.5
[M-H]-	230.10473	155.5
[M+Na-2H]-	252.08668	159.8
[M]+	231.11146	154.7
[M]-	231.11256	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe