CID 65710420

4-methyl-2-(1-methyl-1h-pyrazol-4-yl)-1,3-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H9N3O3
SMILES
CC1=C(OC(=N1)C2=CN(N=C2)C)C(=O)O
InChI
InChI=1S/C9H9N3O3/c1-5-7(9(13)14)15-8(11-5)6-3-10-12(2)4-6/h3-4H,1-2H3,(H,13,14)
InChIKey
USJBPRAUIAHFNJ-UHFFFAOYSA-N
Compound name
4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06439 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 141.8
[M+Na]+ 230.05361 154.1
[M+NH4]+ 225.09821 147.6
[M+K]+ 246.02755 154.6
[M-H]- 206.05711 142.9
[M+Na-2H]- 228.03906 147.0
[M]+ 207.06384 143.6
[M]- 207.06494 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.