CID 135480519

114347-13-6

Structural Information

Molecular Formula

C₆H₄N₄O₂

SMILES

C1=CN=C(C=N1)C2=NOC(=O)N2

InChI

InChI=1S/C6H4N4O2/c11-6-9-5(10-12-6)4-3-7-1-2-8-4/h1-3H,(H,9,10,11)

InChIKey

ALYSDVMPAXWPNM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 164.03343 Da
Monoisotopic Mass: -0.4
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]+	165.04071	129.1
[M+Na]+	187.02265	140.0
[M-H]-	163.02615	130.6
[M+NH4]+	182.06725	143.9
[M+K]+	202.99659	137.9
[M+H-H2O]+	147.03069	120.3
[M+HCOO]-	209.03163	149.7
[M+CH3COO]-	223.04728	142.5
[M+Na-2H]-	185.00810	137.8
[M]+	164.03288	129.4
[M]-	164.03398	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe