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]+ 235.071336 148.1
[M+Na]+ 257.053278 157.4
[M-H]- 233.056784 150.6
[M+NH4]+ 252.097883 163.7
[M+K]+ 273.027218 154.6
[M+H-H2O]+ 217.061320 140.6
[M+HCOO]- 279.062261 168.6
[M+CH3COO]- 293.077911 185.1
[M+Na-2H]- 255.038726 151.1
[M]+ 234.06351142 149.8
[M]- 234.06460858 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.