CID 79779160

4-[(1-methyl-1h-pyrazol-3-yl)amino]benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

CN1C=CC(=N1)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H11N3O2/c1-14-7-6-10(13-14)12-9-4-2-8(3-5-9)11(15)16/h2-7H,1H3,(H,12,13)(H,15,16)

InChIKey

INOUVVOCLUGPBQ-UHFFFAOYSA-N

Compound name

4-[(1-methylpyrazol-3-yl)amino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.08513 Da
Monoisotopic Mass: 1.6
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]+	218.092406	145.9
[M+Na]+	240.074348	154.1
[M-H]-	216.077854	149.4
[M+NH4]+	235.118953	162.4
[M+K]+	256.048288	150.9
[M+H-H2O]+	200.082390	137.8
[M+HCOO]-	262.083331	168.6
[M+CH3COO]-	276.098981	187.0
[M+Na-2H]-	238.059796	150.5
[M]+	217.08458142	145.5
[M]-	217.08567858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.