CID 12534824

3-isopropyl-1h-indole

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

CC(C)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C11H13N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-8,12H,1-2H3

InChIKey

ZFDQHODXVZRPFG-UHFFFAOYSA-N

Compound name

3-propan-2-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 767
Patents: 159.1048 Da
Monoisotopic Mass: 3.4
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]+	160.11208	133.1
[M+Na]+	182.09402	146.9
[M+NH4]+	177.13862	142.9
[M+K]+	198.06796	141.4
[M-H]-	158.09752	135.4
[M+Na-2H]-	180.07947	140.3
[M]+	159.10425	135.8
[M]-	159.10535	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe