CID 4167209

1-butylindoline

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CCCCN1CCC2=CC=CC=C21

InChI

InChI=1S/C12H17N/c1-2-3-9-13-10-8-11-6-4-5-7-12(11)13/h4-7H,2-3,8-10H2,1H3

InChIKey

SEOOBROTBJRSHG-UHFFFAOYSA-N

Compound name

1-butyl-2,3-dihydroindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 175.1361 Da
Monoisotopic Mass: 3.3
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]+	176.14338	140.0
[M+Na]+	198.12532	152.6
[M+NH4]+	193.16992	150.0
[M+K]+	214.09926	146.2
[M-H]-	174.12882	142.6
[M+Na-2H]-	196.11077	146.1
[M]+	175.13555	142.6
[M]-	175.13665	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe