CID 24271260

1-(3,5-dimethylphenyl)-5-methyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC1=CC(=CC(=C1)N2C(=CC(=N2)C(=O)O)C)C
InChI
InChI=1S/C13H14N2O2/c1-8-4-9(2)6-11(5-8)15-10(3)7-12(14-15)13(16)17/h4-7H,1-3H3,(H,16,17)
InChIKey
JIPYFKORUPMWKV-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 152.3
[M+Na]+ 253.09475 165.7
[M+NH4]+ 248.13935 159.3
[M+K]+ 269.06869 161.9
[M-H]- 229.09825 154.1
[M+Na-2H]- 251.08020 158.5
[M]+ 230.10498 154.6
[M]- 230.10608 154.6
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.