CID 7537625

1-methyl-3-phenyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H10N2O2/c1-13-10(11(14)15)7-9(12-13)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChIKey
RTBQZMPYPFQBHA-UHFFFAOYSA-N
Compound name
2-methyl-5-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

188
Patents

202.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 143.4
[M+Na]+ 225.06345 156.4
[M+NH4]+ 220.10805 150.7
[M+K]+ 241.03739 152.8
[M-H]- 201.06695 145.1
[M+Na-2H]- 223.04890 150.7
[M]+ 202.07368 145.6
[M]- 202.07478 145.6
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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