CID 22480816

1,2,4-oxadiazole-3-carboxamide

Structural Information

Molecular Formula

C₃H₃N₃O₂

SMILES

C1=NC(=NO1)C(=O)N

InChI

InChI=1S/C3H3N3O2/c4-2(7)3-5-1-8-6-3/h1H,(H2,4,7)

InChIKey

LTWSKQYBNYYNRN-UHFFFAOYSA-N

Compound name

1,2,4-oxadiazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 113.02253 Da
Monoisotopic Mass: -0.7
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]+	114.029806	116.9
[M+Na]+	136.011748	125.9
[M-H]-	112.015254	118.5
[M+NH4]+	131.056353	136.6
[M+K]+	151.985688	126.9
[M+H-H2O]+	96.019790	110.1
[M+HCOO]-	158.020731	140.7
[M+CH3COO]-	172.036381	166.7
[M+Na-2H]-	133.997196	124.8
[M]+	113.02198142	116.7
[M]-	113.02307858	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe