CID 30845

21889-05-4

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

C1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)N

InChI

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

InChIKey

BBYJHUAEFSHMHU-UHFFFAOYSA-N

Compound name

4-(1H-indol-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 38
Patents: 208.10005 Da
Monoisotopic Mass: 3.1
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	143.5
[M+Na]+	231.08927	153.3
[M-H]-	207.09277	148.9
[M+NH4]+	226.13387	162.9
[M+K]+	247.06321	147.0
[M+H-H2O]+	191.09731	136.3
[M+HCOO]-	253.09825	167.7
[M+CH3COO]-	267.11390	156.8
[M+Na-2H]-	229.07472	150.7
[M]+	208.09950	141.5
[M]-	208.10060	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe