CID 13303402

91857-71-5

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C=C1)C2=NNC(=C2N)C(=O)O
InChI
InChI=1S/C10H9N3O2/c11-7-8(6-4-2-1-3-5-6)12-13-9(7)10(14)15/h1-5H,11H2,(H,12,13)(H,14,15)
InChIKey
YFGGWSNAPLJFNA-UHFFFAOYSA-N
Compound name
4-amino-3-phenyl-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

203.06947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 142.3
[M+Na]+ 226.058688 150.5
[M-H]- 202.062194 144.1
[M+NH4]+ 221.103293 158.4
[M+K]+ 242.032628 146.3
[M+H-H2O]+ 186.066730 134.7
[M+HCOO]- 248.067671 163.2
[M+CH3COO]- 262.083321 181.1
[M+Na-2H]- 224.044136 145.9
[M]+ 203.06892142 138.7
[M]- 203.07001858 138.7
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