CID 136197528

154020-18-5

Structural Information

Molecular Formula

C₂H₃N₃O₂

SMILES

C1(=NOC(=O)N1)N

InChI

InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)

InChIKey

NSJWCGRUQOIQQH-UHFFFAOYSA-N

Compound name

3-amino-4H-1,2,4-oxadiazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 101.02253 Da
Monoisotopic Mass: -0.8
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]+	102.029806	112.9
[M+Na]+	124.011748	123.1
[M-H]-	100.015254	113.5
[M+NH4]+	119.056353	132.8
[M+K]+	139.985688	122.8
[M+H-H2O]+	84.019790	106.7
[M+HCOO]-	146.020731	136.4
[M+CH3COO]-	160.036381	161.5
[M+Na-2H]-	121.997196	121.2
[M]+	101.02198142	111.4
[M]-	101.02307858	111.4

Literature stripe

literature stripe

Patent stripe

patents stripe