CID 45496301

1238343-38-8

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

C1=CC=C(C=C1)C2=C(NN=C2N)C(=O)O

InChI

InChI=1S/C10H9N3O2/c11-9-7(6-4-2-1-3-5-6)8(10(14)15)12-13-9/h1-5H,(H,14,15)(H3,11,12,13)

InChIKey

NSSYNYUJSLLDSU-UHFFFAOYSA-N

Compound name

3-amino-4-phenyl-1H-pyrazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 203.06947 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.07675	143.3
[M+Na]+	226.05869	154.3
[M+NH4]+	221.10329	149.6
[M+K]+	242.03263	151.8
[M-H]-	202.06219	144.5
[M+Na-2H]-	224.04414	149.3
[M]+	203.06892	144.8
[M]-	203.07002	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe