CID 1085887

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

39
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 147.2
[M+Na]+ 241.05836 159.1
[M+NH4]+ 236.10296 153.5
[M+K]+ 257.03230 156.3
[M-H]- 217.06186 147.8
[M+Na-2H]- 239.04381 153.3
[M]+ 218.06859 148.7
[M]- 218.06969 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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