CID 17053

3949-14-2

Structural Information

Molecular Formula

C₁₅H₂₀N₂O

SMILES

COC1=CC2=C(C=C1)NC=C2CCN3CCCC3

InChI

InChI=1S/C15H20N2O/c1-18-13-4-5-15-14(10-13)12(11-16-15)6-9-17-7-2-3-8-17/h4-5,10-11,16H,2-3,6-9H2,1H3

InChIKey

KAASYKNZNPWPQG-UHFFFAOYSA-N

Compound name

5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 102
Patents: 244.15756 Da
Monoisotopic Mass: 2.0
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]+	245.164836	156.9
[M+Na]+	267.146778	164.6
[M-H]-	243.150284	160.6
[M+NH4]+	262.191383	175.6
[M+K]+	283.120718	160.0
[M+H-H2O]+	227.154820	149.0
[M+HCOO]-	289.155761	177.0
[M+CH3COO]-	303.171411	168.7
[M+Na-2H]-	265.132226	158.9
[M]+	244.15701142	156.7
[M]-	244.15810858	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe