CID 3045798

2-methyloxazole-4,5-dicarboxamide

Structural Information

Molecular Formula
C6H7N3O3
SMILES
CC1=NC(=C(O1)C(=O)N)C(=O)N
InChI
InChI=1S/C6H7N3O3/c1-2-9-3(5(7)10)4(12-2)6(8)11/h1H3,(H2,7,10)(H2,8,11)
InChIKey
GPMSKFTYOVAEOF-UHFFFAOYSA-N
Compound name
2-methyl-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04874 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 133.4
[M+Na]+ 192.03796 141.9
[M-H]- 168.04146 136.4
[M+NH4]+ 187.08256 151.9
[M+K]+ 208.01190 142.2
[M+H-H2O]+ 152.04600 126.9
[M+HCOO]- 214.04694 157.2
[M+CH3COO]- 228.06259 182.3
[M+Na-2H]- 190.02341 136.4
[M]+ 169.04819 132.8
[M]- 169.04929 132.8
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