CID 17984218

3-methylisoxazole-4-carboxamide

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

CC1=NOC=C1C(=O)N

InChI

InChI=1S/C5H6N2O2/c1-3-4(5(6)8)2-9-7-3/h2H,1H3,(H2,6,8)

InChIKey

AVSLCGYMISJJBT-UHFFFAOYSA-N

Compound name

3-methyl-1,2-oxazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 126.04293 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]+	127.05021	122.7
[M+Na]+	149.03215	133.1
[M+NH4]+	144.07675	130.0
[M+K]+	165.00609	131.4
[M-H]-	125.03565	124.3
[M+Na-2H]-	147.01760	127.1
[M]+	126.04238	124.3
[M]-	126.04348	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe