CID 1085887

3-(4-methoxyphenyl)-1h-pyrazole-5-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
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 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

literature stripe

Patent stripe

patents stripe