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
1
Annotation Hits

0
References

20
Patents

219.06439 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 145.2
[M+Na]+ 242.05361 153.9
[M-H]- 218.05711 148.4
[M+NH4]+ 237.09821 161.5
[M+K]+ 258.02755 150.8
[M+H-H2O]+ 202.06165 137.5
[M+HCOO]- 264.06259 166.6
[M+CH3COO]- 278.07824 186.4
[M+Na-2H]- 240.03906 147.6
[M]+ 219.06384 143.1
[M]- 219.06494 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