CID 170868

Einecs 256-654-4

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

CC(=CCN1C=CC2=CC=CC=C21)C

InChI

InChI=1S/C13H15N/c1-11(2)7-9-14-10-8-12-5-3-4-6-13(12)14/h3-8,10H,9H2,1-2H3

InChIKey

ZOXTWOMKOBJEAA-UHFFFAOYSA-N

Compound name

1-(3-methylbut-2-enyl)indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 185.12045 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]+	186.12773	141.3
[M+Na]+	208.10967	155.3
[M+NH4]+	203.15427	150.8
[M+K]+	224.08361	148.9
[M-H]-	184.11317	143.8
[M+Na-2H]-	206.09512	148.4
[M]+	185.11990	144.1
[M]-	185.12100	144.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.