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: 1
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]+	245.16484	157.2
[M+Na]+	267.14678	169.3
[M+NH4]+	262.19138	165.8
[M+K]+	283.12072	165.4
[M-H]-	243.15028	159.8
[M+Na-2H]-	265.13223	163.0
[M]+	244.15701	159.6
[M]-	244.15811	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe