CID 2758769

129117-13-1

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CCOC1=CC=C(C=C1)C2=CC(=NN2)N

InChI

InChI=1S/C11H13N3O/c1-2-15-9-5-3-8(4-6-9)10-7-11(12)14-13-10/h3-7H,2H2,1H3,(H3,12,13,14)

InChIKey

KLCKUJMHTNSQBS-UHFFFAOYSA-N

Compound name

5-(4-ethoxyphenyl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 203.10587 Da
Monoisotopic Mass: 1.9
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]+	204.11315	143.8
[M+Na]+	226.09509	152.2
[M-H]-	202.09859	146.6
[M+NH4]+	221.13969	160.9
[M+K]+	242.06903	148.1
[M+H-H2O]+	186.10313	135.7
[M+HCOO]-	248.10407	166.5
[M+CH3COO]-	262.11972	184.2
[M+Na-2H]-	224.08054	148.5
[M]+	203.10532	142.3
[M]-	203.10642	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe