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]+ 219.07642 145.6
[M+Na]+ 241.05836 154.1
[M-H]- 217.06186 147.7
[M+NH4]+ 236.10296 161.6
[M+K]+ 257.03230 150.7
[M+H-H2O]+ 201.06640 138.0
[M+HCOO]- 263.06734 165.9
[M+CH3COO]- 277.08299 181.7
[M+Na-2H]- 239.04381 149.2
[M]+ 218.06859 145.4
[M]- 218.06969 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.