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]+ 204.07675 141.8
[M+Na]+ 226.05869 150.5
[M-H]- 202.06219 145.0
[M+NH4]+ 221.10329 158.7
[M+K]+ 242.03263 147.1
[M+H-H2O]+ 186.06673 134.0
[M+HCOO]- 248.06767 164.3
[M+CH3COO]- 262.08332 183.4
[M+Na-2H]- 224.04414 145.9
[M]+ 203.06892 140.0
[M]- 203.07002 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.