CID 208793

Brn 0986676

Structural Information

Molecular Formula

C₉H₁₃N₃O₃

SMILES

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

InChI

InChI=1S/C9H13N3O3/c1-5(2)10-9(14)11-8(13)7-4-6(3)15-12-7/h4-5H,1-3H3,(H2,10,11,13,14)

InChIKey

JMGUHFZZLVKKGZ-UHFFFAOYSA-N

Compound name

5-methyl-N-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.09569 Da
Monoisotopic Mass: 1.4
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]+	212.10297	148.3
[M+Na]+	234.08491	154.6
[M-H]-	210.08841	151.6
[M+NH4]+	229.12951	165.5
[M+K]+	250.05885	155.3
[M+H-H2O]+	194.09295	141.2
[M+HCOO]-	256.09389	171.4
[M+CH3COO]-	270.10954	190.2
[M+Na-2H]-	232.07036	151.3
[M]+	211.09514	149.5
[M]-	211.09624	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe