CID 15653058

4-(indol-1-yl)aniline hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

C1=CC=C2C(=C1)C=CN2C3=CC=C(C=C3)N

InChI

InChI=1S/C14H12N2/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h1-10H,15H2

InChIKey

NZQHJRPNILETRB-UHFFFAOYSA-N

Compound name

4-indol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 208.10005 Da
Monoisotopic Mass: 3.7
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]+	209.10733	144.5
[M+Na]+	231.08927	160.4
[M+NH4]+	226.13387	154.8
[M+K]+	247.06321	153.5
[M-H]-	207.09277	150.5
[M+Na-2H]-	229.07472	155.1
[M]+	208.09950	148.6
[M]-	208.10060	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe