CID 28974022

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

Structural Information

Molecular Formula
C11H10N2O3
SMILES
COC1=CC=C(C=C1)N2C=CC(=N2)C(=O)O
InChI
InChI=1S/C11H10N2O3/c1-16-9-4-2-8(3-5-9)13-7-6-10(12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKey
WKALCJSOAPWBSJ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.06914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 144.9
[M+Na]+ 241.058358 154.0
[M-H]- 217.061864 148.5
[M+NH4]+ 236.102963 161.7
[M+K]+ 257.032298 151.4
[M+H-H2O]+ 201.066400 137.1
[M+HCOO]- 263.067341 166.8
[M+CH3COO]- 277.082991 184.2
[M+Na-2H]- 239.043806 149.0
[M]+ 218.06859142 146.6
[M]- 218.06968858 146.6
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

patents stripe