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]+ 170.056016 133.4
[M+Na]+ 192.037958 141.9
[M-H]- 168.041464 136.4
[M+NH4]+ 187.082563 151.9
[M+K]+ 208.011898 142.2
[M+H-H2O]+ 152.046000 126.9
[M+HCOO]- 214.046941 157.2
[M+CH3COO]- 228.062591 182.3
[M+Na-2H]- 190.023406 136.4
[M]+ 169.04819142 132.8
[M]- 169.04928858 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