CID 3159574

957312-71-9

Structural Information

Molecular Formula
C9H9N3O3
SMILES
CC1=C(C=NN1C)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C9H9N3O3/c1-5-6(4-10-12(5)2)8-3-7(9(13)14)11-15-8/h3-4H,1-2H3,(H,13,14)
InChIKey
NYHSVIQOOWQYNS-UHFFFAOYSA-N
Compound name
5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
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.

Literature stripe

literature stripe

Patent stripe

patents stripe