CID 43842006

Ethyl 4-amino-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CCOC(=O)C1=NOC=C1N

InChI

InChI=1S/C6H8N2O3/c1-2-10-6(9)5-4(7)3-11-8-5/h3H,2,7H2,1H3

InChIKey

ONTSEXDZCMYQRG-UHFFFAOYSA-N

Compound name

ethyl 4-amino-1,2-oxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 156.0535 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]+	157.06078	130.4
[M+Na]+	179.04272	140.1
[M+NH4]+	174.08732	137.0
[M+K]+	195.01666	138.7
[M-H]-	155.04622	131.4
[M+Na-2H]-	177.02817	134.1
[M]+	156.05295	131.7
[M]-	156.05405	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe