CID 3010

123597-55-7

Structural Information

Molecular Formula

C₁₉H₃₀N₂O

SMILES

CCCCCCCCCCNC1=CC(=C2C=CNC2=C1)CO

InChI

InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-9-11-20-17-13-16(15-22)18-10-12-21-19(18)14-17/h10,12-14,20-22H,2-9,11,15H2,1H3

InChIKey

CHLOVPDKABYEDC-UHFFFAOYSA-N

Compound name

[6-(decylamino)-1H-indol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 78
Patents: 302.2358 Da
Monoisotopic Mass: 5.6
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]+	303.24308	176.0
[M+Na]+	325.22502	181.4
[M-H]-	301.22852	175.6
[M+NH4]+	320.26962	191.4
[M+K]+	341.19896	174.8
[M+H-H2O]+	285.23306	168.3
[M+HCOO]-	347.23400	196.2
[M+CH3COO]-	361.24965	205.2
[M+Na-2H]-	323.21047	178.6
[M]+	302.23525	178.6
[M]-	302.23635	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe