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]+ 208.07167 140.3
[M+Na]+ 230.05361 151.1
[M-H]- 206.05711 143.9
[M+NH4]+ 225.09821 156.9
[M+K]+ 246.02755 150.0
[M+H-H2O]+ 190.06165 132.8
[M+HCOO]- 252.06259 162.8
[M+CH3COO]- 266.07824 181.2
[M+Na-2H]- 228.03906 144.2
[M]+ 207.06384 144.6
[M]- 207.06494 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.