CID 12378220

1-ethyl-1h-indazol-6-amine

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

CCN1C2=C(C=CC(=C2)N)C=N1

InChI

InChI=1S/C9H11N3/c1-2-12-9-5-8(10)4-3-7(9)6-11-12/h3-6H,2,10H2,1H3

InChIKey

ODMRWSSWTARSNS-UHFFFAOYSA-N

Compound name

1-ethylindazol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 161.09529 Da
Monoisotopic Mass: 1.7
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]+	162.10257	131.8
[M+Na]+	184.08451	142.8
[M-H]-	160.08801	134.2
[M+NH4]+	179.12911	152.9
[M+K]+	200.05845	139.3
[M+H-H2O]+	144.09255	124.8
[M+HCOO]-	206.09349	156.4
[M+CH3COO]-	220.10914	146.2
[M+Na-2H]-	182.06996	139.6
[M]+	161.09474	132.9
[M]-	161.09584	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe