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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 148.3
[M+Na]+ 234.084908 154.6
[M-H]- 210.088414 151.6
[M+NH4]+ 229.129513 165.5
[M+K]+ 250.058848 155.3
[M+H-H2O]+ 194.092950 141.2
[M+HCOO]- 256.093891 171.4
[M+CH3COO]- 270.109541 190.2
[M+Na-2H]- 232.070356 151.3
[M]+ 211.09514142 149.5
[M]- 211.09623858 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe