CID 39870253

1-(3-aminophenyl)-1h-pyrazole-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06947 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.