CID 76981

3445-52-1

Structural Information

Molecular Formula
C5H6N2O2
SMILES
CC1=CC(=NO1)C(=O)N
InChI
InChI=1S/C5H6N2O2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3,(H2,6,8)
InChIKey
KBOSIRPMGVGOEP-UHFFFAOYSA-N
Compound name
5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

452
Patents

126.04293 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 121.9
[M+Na]+ 149.032148 131.0
[M-H]- 125.035654 125.0
[M+NH4]+ 144.076753 142.8
[M+K]+ 165.006088 131.5
[M+H-H2O]+ 109.040190 116.0
[M+HCOO]- 171.041131 146.3
[M+CH3COO]- 185.056781 171.1
[M+Na-2H]- 147.017596 128.1
[M]+ 126.04238142 122.2
[M]- 126.04347858 122.2
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

No patent data available for this compound.