CID 12189273

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

Structural Information

Molecular Formula
C11H10N2O3
SMILES
COC1=CC=CC(=C1)C2=C(C=NN2)C(=O)O
InChI
InChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
VVUVPSNFYCNORL-UHFFFAOYSA-N
Compound name
5-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 145.6
[M+Na]+ 241.058358 154.1
[M-H]- 217.061864 147.7
[M+NH4]+ 236.102963 161.6
[M+K]+ 257.032298 150.7
[M+H-H2O]+ 201.066400 138.0
[M+HCOO]- 263.067341 165.9
[M+CH3COO]- 277.082991 181.7
[M+Na-2H]- 239.043806 149.2
[M]+ 218.06859142 145.4
[M]- 218.06968858 145.4
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.