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-ethoxypyridin-3-yl)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]+ 234.08733 149.3
[M+Na]+ 256.06927 158.3
[M-H]- 232.07277 151.4
[M+NH4]+ 251.11387 164.1
[M+K]+ 272.04321 155.5
[M+H-H2O]+ 216.07731 140.6
[M+HCOO]- 278.07825 169.8
[M+CH3COO]- 292.09390 187.0
[M+Na-2H]- 254.05472 153.3
[M]+ 233.07950 151.5
[M]- 233.08060 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.