CID 818267

3-(4-methylphenyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O
InChI
InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
BGTWUOQARPOYER-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

38
Patents

202.07423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 144.0
[M+Na]+ 225.06345 156.5
[M+NH4]+ 220.10805 150.9
[M+K]+ 241.03739 153.1
[M-H]- 201.06695 145.2
[M+Na-2H]- 223.04890 150.6
[M]+ 202.07368 145.9
[M]- 202.07478 145.9
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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