CID 66632

89-26-9

Structural Information

Molecular Formula
C10H9N3O3
SMILES
C1C(=NN(C1=O)C2=CC=CC(=C2)N)C(=O)O
InChI
InChI=1S/C10H9N3O3/c11-6-2-1-3-7(4-6)13-9(14)5-8(12-13)10(15)16/h1-4H,5,11H2,(H,15,16)
InChIKey
SWHUGXBRBHHKFB-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

219.06439 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.071666 145.2
[M+Na]+ 242.053608 153.9
[M-H]- 218.057114 148.4
[M+NH4]+ 237.098213 161.5
[M+K]+ 258.027548 150.8
[M+H-H2O]+ 202.061650 137.5
[M+HCOO]- 264.062591 166.6
[M+CH3COO]- 278.078241 186.4
[M+Na-2H]- 240.039056 147.6
[M]+ 219.06384142 143.1
[M]- 219.06493858 143.1
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.

Patent stripe

patents stripe