CID 43502

2(3h)-isoxazolecarboxamide, n,n-dimethyl-3-oxo-

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CN(C)C(=O)N1C(=O)C=CO1
InChI
InChI=1S/C6H8N2O3/c1-7(2)6(10)8-5(9)3-4-11-8/h3-4H,1-2H3
InChIKey
PYCPPVGHAHADCR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-oxo-1,2-oxazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.0535 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 128.1
[M+Na]+ 179.04272 137.3
[M-H]- 155.04622 133.3
[M+NH4]+ 174.08732 148.8
[M+K]+ 195.01666 139.3
[M+H-H2O]+ 139.05076 121.9
[M+HCOO]- 201.05170 153.8
[M+CH3COO]- 215.06735 178.3
[M+Na-2H]- 177.02817 134.2
[M]+ 156.05295 131.7
[M]- 156.05405 131.7
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.