CID 170708

2-methyl-1-octyl-1h-indole

Structural Information

Molecular Formula

C₁₇H₂₅N

SMILES

CCCCCCCCN1C(=CC2=CC=CC=C21)C

InChI

InChI=1S/C17H25N/c1-3-4-5-6-7-10-13-18-15(2)14-16-11-8-9-12-17(16)18/h8-9,11-12,14H,3-7,10,13H2,1-2H3

InChIKey

MOVCYDNEZZZSLV-UHFFFAOYSA-N

Compound name

2-methyl-1-octylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 210
Patents: 243.1987 Da
Monoisotopic Mass: 5.8
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]+	244.20598	159.8
[M+Na]+	266.18792	173.6
[M+NH4]+	261.23252	169.0
[M+K]+	282.16186	165.8
[M-H]-	242.19142	162.7
[M+Na-2H]-	264.17337	166.1
[M]+	243.19815	162.7
[M]-	243.19925	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe