CID 96913

1-benzyl-1h-indole

Structural Information

Molecular Formula

C₁₅H₁₃N

SMILES

C1=CC=C(C=C1)CN2C=CC3=CC=CC=C32

InChI

InChI=1S/C15H13N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-11H,12H2

InChIKey

NJZQOCCEDXRQJM-UHFFFAOYSA-N

Compound name

1-benzylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 946
Patents: 207.1048 Da
Monoisotopic Mass: 4.3
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]+	208.11208	145.1
[M+Na]+	230.09402	162.0
[M+NH4]+	225.13862	155.9
[M+K]+	246.06796	154.0
[M-H]-	206.09752	150.9
[M+Na-2H]-	228.07947	156.4
[M]+	207.10425	149.5
[M]-	207.10535	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe