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

2
Patents

169.04874 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.056016 133.6
[M+Na]+ 192.037958 141.4
[M-H]- 168.041464 136.8
[M+NH4]+ 187.082563 152.3
[M+K]+ 208.011898 142.0
[M+H-H2O]+ 152.046000 126.9
[M+HCOO]- 214.046941 158.1
[M+CH3COO]- 228.062591 180.2
[M+Na-2H]- 190.023406 138.4
[M]+ 169.04819142 133.5
[M]- 169.04928858 133.5
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