CID 8080972

1-(4-methylphenyl)-5-(propan-2-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)C(C)C
InChI
InChI=1S/C14H16N2O2/c1-9(2)13-12(14(17)18)8-15-16(13)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,17,18)
InChIKey
VWUWIEZEBLTGHG-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 156.5
[M+Na]+ 267.11041 168.9
[M+NH4]+ 262.15501 163.2
[M+K]+ 283.08435 165.6
[M-H]- 243.11391 158.0
[M+Na-2H]- 265.09586 162.4
[M]+ 244.12064 158.5
[M]- 244.12174 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

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No patent data available for this compound.