CID 36180

4-methyl-1,2,5-oxadiazole-3-carboxamide

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

CC1=NON=C1C(=O)N

InChI

InChI=1S/C4H5N3O2/c1-2-3(4(5)8)7-9-6-2/h1H3,(H2,5,8)

InChIKey

QRRDRWCBNYCPJW-UHFFFAOYSA-N

Compound name

4-methyl-1,2,5-oxadiazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 41
Patents: 127.03818 Da
Monoisotopic Mass: 0.3
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]+	128.04546	121.6
[M+Na]+	150.02740	131.2
[M-H]-	126.03090	123.5
[M+NH4]+	145.07200	141.1
[M+K]+	166.00134	131.8
[M+H-H2O]+	110.03544	114.9
[M+HCOO]-	172.03638	145.1
[M+CH3COO]-	186.05203	170.9
[M+Na-2H]-	148.01285	128.2
[M]+	127.03763	122.1
[M]-	127.03873	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe