CID 20303359

1-(2-aminophenyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C(=C1)N)N2C=CC(=N2)C(=O)O
InChI
InChI=1S/C10H9N3O2/c11-7-3-1-2-4-9(7)13-6-5-8(12-13)10(14)15/h1-6H,11H2,(H,14,15)
InChIKey
VMDOKQUNFAZHRI-UHFFFAOYSA-N
Compound name
1-(2-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]+ 204.07675 142.9
[M+Na]+ 226.05869 154.4
[M+NH4]+ 221.10329 149.6
[M+K]+ 242.03263 151.7
[M-H]- 202.06219 144.6
[M+Na-2H]- 224.04414 149.6
[M]+ 203.06892 144.7
[M]- 203.07002 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.