CID 16740655

76091-01-5

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

COC1=CC=C(C=C1)N2C=CC(=N2)N

InChI

InChI=1S/C10H11N3O/c1-14-9-4-2-8(3-5-9)13-7-6-10(11)12-13/h2-7H,1H3,(H2,11,12)

InChIKey

PUYOZGLXKYWMBT-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 189.09021 Da
Monoisotopic Mass: 1.5
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]+	190.09749	138.8
[M+Na]+	212.07943	148.1
[M-H]-	188.08293	143.2
[M+NH4]+	207.12403	157.2
[M+K]+	228.05337	145.2
[M+H-H2O]+	172.08747	130.7
[M+HCOO]-	234.08841	163.4
[M+CH3COO]-	248.10406	183.7
[M+Na-2H]-	210.06488	144.5
[M]+	189.08966	138.8
[M]-	189.09076	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe