CID 43133812

4-hydroxy-1-(4-methylphenyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)O
InChI
InChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)13-6-9(14)10(12-13)11(15)16/h2-6,14H,1H3,(H,15,16)
InChIKey
OTPJNPVATTYIGV-UHFFFAOYSA-N
Compound name
4-hydroxy-1-(4-methylphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 147.1
[M+Na]+ 241.05836 159.4
[M+NH4]+ 236.10296 153.4
[M+K]+ 257.03230 156.8
[M-H]- 217.06186 147.8
[M+Na-2H]- 239.04381 153.0
[M]+ 218.06859 148.8
[M]- 218.06969 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.