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]+ 219.07642 144.9
[M+Na]+ 241.05836 154.0
[M-H]- 217.06186 148.5
[M+NH4]+ 236.10296 161.7
[M+K]+ 257.03230 151.4
[M+H-H2O]+ 201.06640 137.1
[M+HCOO]- 263.06734 166.8
[M+CH3COO]- 277.08299 184.2
[M+Na-2H]- 239.04381 149.0
[M]+ 218.06859 146.6
[M]- 218.06969 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