CID 19620908

1006484-70-3

Structural Information

Molecular Formula
C9H9N3O3
SMILES
CCN1C=CC(=N1)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C9H9N3O3/c1-2-12-4-3-6(10-12)8-5-7(9(13)14)11-15-8/h3-5H,2H2,1H3,(H,13,14)
InChIKey
SZLTZJIYGUPYOE-UHFFFAOYSA-N
Compound name
5-(1-ethylpyrazol-3-yl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06439 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.071666 140.3
[M+Na]+ 230.053608 151.1
[M-H]- 206.057114 143.9
[M+NH4]+ 225.098213 156.9
[M+K]+ 246.027548 150.0
[M+H-H2O]+ 190.061650 132.8
[M+HCOO]- 252.062591 162.8
[M+CH3COO]- 266.078241 181.2
[M+Na-2H]- 228.039056 144.2
[M]+ 207.06384142 144.6
[M]- 207.06493858 144.6
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

No patent data available for this compound.