CID 22831891

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

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CC1=CC(=NN1C2=CC=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C12H12N2O3/c1-8-7-11(12(15)16)13-14(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,15,16)
InChIKey
AONXPDKLYJASOS-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 151.0
[M+Na]+ 255.07402 163.7
[M+NH4]+ 250.11862 157.5
[M+K]+ 271.04796 160.5
[M-H]- 231.07752 152.2
[M+Na-2H]- 253.05947 157.2
[M]+ 232.08425 152.9
[M]- 232.08535 152.9
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.