CID 3159574

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

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

2
Patents

207.06439 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.071666 140.3
[M+Na]+ 230.053608 152.0
[M-H]- 206.057114 144.4
[M+NH4]+ 225.098213 157.2
[M+K]+ 246.027548 150.9
[M+H-H2O]+ 190.061650 133.2
[M+HCOO]- 252.062591 162.8
[M+CH3COO]- 266.078241 182.4
[M+Na-2H]- 228.039056 143.5
[M]+ 207.06384142 145.1
[M]- 207.06493858 145.1
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