CID 62140910

4-(1h-indazol-1-yl)aniline

Structural Information

Molecular Formula

C₁₃H₁₁N₃

SMILES

C1=CC=C2C(=C1)C=NN2C3=CC=C(C=C3)N

InChI

InChI=1S/C13H11N3/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15-16/h1-9H,14H2

InChIKey

AQQPNMUWIKGWGI-UHFFFAOYSA-N

Compound name

4-indazol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 209.09529 Da
Monoisotopic Mass: 2.5
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]+	210.102566	143.5
[M+Na]+	232.084508	154.1
[M-H]-	208.088014	149.0
[M+NH4]+	227.129113	162.1
[M+K]+	248.058448	148.8
[M+H-H2O]+	192.092550	135.2
[M+HCOO]-	254.093491	168.1
[M+CH3COO]-	268.109141	157.1
[M+Na-2H]-	230.069956	151.6
[M]+	209.09474142	143.5
[M]-	209.09583858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe