CID 215374

4-oxazolecarboxamide, 2-(acetylamino)-

Structural Information

Molecular Formula

C₆H₇N₃O₃

SMILES

CC(=O)NC1=NC(=CO1)C(=O)N

InChI

InChI=1S/C6H7N3O3/c1-3(10)8-6-9-4(2-12-6)5(7)11/h2H,1H3,(H2,7,11)(H,8,9,10)

InChIKey

QSVMXWLBJNCBRN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.04874 Da
Monoisotopic Mass: -0.9
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]+	170.056016	133.4
[M+Na]+	192.037958	141.0
[M-H]-	168.041464	136.5
[M+NH4]+	187.082563	151.9
[M+K]+	208.011898	141.6
[M+H-H2O]+	152.046000	126.6
[M+HCOO]-	214.046941	157.8
[M+CH3COO]-	228.062591	180.9
[M+Na-2H]-	190.023406	138.1
[M]+	169.04819142	133.3
[M]-	169.04928858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe