CID 15582693

86186-69-8

Structural Information

Molecular Formula

C₈H₁₂N₂O₃

SMILES

CCC1=NC(=C(O1)N)C(=O)OCC

InChI

InChI=1S/C8H12N2O3/c1-3-5-10-6(7(9)13-5)8(11)12-4-2/h3-4,9H2,1-2H3

InChIKey

SBLSFVDVLXXQSQ-UHFFFAOYSA-N

Compound name

ethyl 5-amino-2-ethyl-1,3-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 184.0848 Da
Monoisotopic Mass: 1.9
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]+	185.09208	139.2
[M+Na]+	207.07402	148.9
[M+NH4]+	202.11862	145.4
[M+K]+	223.04796	147.2
[M-H]-	183.07752	140.2
[M+Na-2H]-	205.05947	142.1
[M]+	184.08425	140.5
[M]-	184.08535	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe