CID 83802717

5-amino-3-methylisoxazole-4-carbaldehyde

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

CC1=NOC(=C1C=O)N

InChI

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

InChIKey

WZKWEGOZXYMWND-UHFFFAOYSA-N

Compound name

5-amino-3-methyl-1,2-oxazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
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	122.1
[M+Na]+	149.03215	133.2
[M+NH4]+	144.07675	129.6
[M+K]+	165.00609	130.9
[M-H]-	125.03565	124.0
[M+Na-2H]-	147.01760	126.7
[M]+	126.04238	123.9
[M]-	126.04348	123.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.