CID 22267974

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

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=CN(N=C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O2/c1-8-7-13(12-10(8)11(14)15)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKey
LHRKEPMAEXHVOS-UHFFFAOYSA-N
Compound name
4-methyl-1-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 142.1
[M+Na]+ 225.06345 151.3
[M-H]- 201.06695 145.6
[M+NH4]+ 220.10805 159.6
[M+K]+ 241.03739 148.1
[M+H-H2O]+ 185.07149 134.5
[M+HCOO]- 247.07243 163.8
[M+CH3COO]- 261.08808 182.0
[M+Na-2H]- 223.04890 146.1
[M]+ 202.07368 142.4
[M]- 202.07478 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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