CID 746814

5-amino-1-phenyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N
InChI
InChI=1S/C10H9N3O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15)
InChIKey
BFMGSMOYBHOHGI-UHFFFAOYSA-N
Compound name
5-amino-1-phenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

137
Patents

203.06947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 141.8
[M+Na]+ 226.058688 150.5
[M-H]- 202.062194 145.0
[M+NH4]+ 221.103293 158.7
[M+K]+ 242.032628 147.1
[M+H-H2O]+ 186.066730 134.0
[M+HCOO]- 248.067671 164.3
[M+CH3COO]- 262.083321 183.4
[M+Na-2H]- 224.044136 145.9
[M]+ 203.06892142 140.0
[M]- 203.07001858 140.0
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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