CID 3045798

2-methyloxazole-4,5-dicarboxamide

Structural Information

Molecular Formula

C₆H₇N₃O₃

SMILES

CC1=NC(=C(O1)C(=O)N)C(=O)N

InChI

InChI=1S/C6H7N3O3/c1-2-9-3(5(7)10)4(12-2)6(8)11/h1H3,(H2,7,10)(H2,8,11)

InChIKey

GPMSKFTYOVAEOF-UHFFFAOYSA-N

Compound name

2-methyl-1,3-oxazole-4,5-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.04874 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]+	170.05602	134.2
[M+Na]+	192.03796	142.3
[M+NH4]+	187.08256	139.6
[M+K]+	208.01190	142.5
[M-H]-	168.04146	134.8
[M+Na-2H]-	190.02341	136.3
[M]+	169.04819	134.9
[M]-	169.04929	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe