CID 208766

Brn 0978851

Structural Information

Molecular Formula

C₆H₇N₃O₃

SMILES

CC1=CC(=NO1)C(=O)NC(=O)N

InChI

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

InChIKey

LQXUSWLJCKWURD-UHFFFAOYSA-N

Compound name

N-carbamoyl-5-methyl-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.04874 Da
Monoisotopic Mass: 0.2
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	133.6
[M+Na]+	192.03796	141.4
[M-H]-	168.04146	136.8
[M+NH4]+	187.08256	152.3
[M+K]+	208.01190	142.0
[M+H-H2O]+	152.04600	126.9
[M+HCOO]-	214.04694	158.1
[M+CH3COO]-	228.06259	180.2
[M+Na-2H]-	190.02341	138.4
[M]+	169.04819	133.5
[M]-	169.04929	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe