CID 136575564

1-(5-ethoxypyridin-3-yl)-1h-pyrazole-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H11N3O3
SMILES
CCOC1=CN=CC(=C1)N2C=CC(=N2)C(=O)O
InChI
InChI=1S/C11H11N3O3/c1-2-17-9-5-8(6-12-7-9)14-4-3-10(13-14)11(15)16/h3-7H,2H2,1H3,(H,15,16)
InChIKey
YQEPUZCZLMWQRH-UHFFFAOYSA-N
Compound name
1-(5-ethoxy-3-pyridinyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.087326 149.3
[M+Na]+ 256.069268 158.3
[M-H]- 232.072774 151.4
[M+NH4]+ 251.113873 164.1
[M+K]+ 272.043208 155.5
[M+H-H2O]+ 216.077310 140.6
[M+HCOO]- 278.078251 169.8
[M+CH3COO]- 292.093901 187.0
[M+Na-2H]- 254.054716 153.3
[M]+ 233.07950142 151.5
[M]- 233.08059858 151.5
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.