CID 3068355

83363-33-1

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

COC1(CCCNC1)C2=C3C=CNC3=CC=C2

InChI

InChI=1S/C14H18N2O/c1-17-14(7-3-8-15-10-14)12-4-2-5-13-11(12)6-9-16-13/h2,4-6,9,15-16H,3,7-8,10H2,1H3

InChIKey

HWVLANZOAMRQDN-UHFFFAOYSA-N

Compound name

4-(3-methoxypiperidin-3-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 230.1419 Da
Monoisotopic Mass: 1.6
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]+	231.149176	152.9
[M+Na]+	253.131118	159.9
[M-H]-	229.134624	154.8
[M+NH4]+	248.175723	171.3
[M+K]+	269.105058	154.4
[M+H-H2O]+	213.139160	144.9
[M+HCOO]-	275.140101	169.6
[M+CH3COO]-	289.155751	163.7
[M+Na-2H]-	251.116566	158.5
[M]+	230.14135142	148.1
[M]-	230.14244858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe