CID 43133822

4-hydroxy-1-(4-methoxyphenyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O4
SMILES
COC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)O
InChI
InChI=1S/C11H10N2O4/c1-17-8-4-2-7(3-5-8)13-6-9(14)10(12-13)11(15)16/h2-6,14H,1H3,(H,15,16)
InChIKey
FPAAXOFYZPRRCS-UHFFFAOYSA-N
Compound name
4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 148.1
[M+Na]+ 257.05328 157.4
[M-H]- 233.05678 150.6
[M+NH4]+ 252.09788 163.7
[M+K]+ 273.02722 154.6
[M+H-H2O]+ 217.06132 140.6
[M+HCOO]- 279.06226 168.6
[M+CH3COO]- 293.07791 185.1
[M+Na-2H]- 255.03873 151.1
[M]+ 234.06351 149.8
[M]- 234.06461 149.8
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.