CID 21477

5379-88-4

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

C1COCCN1CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C13H16N2O/c1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15/h1-4,9,14H,5-8,10H2

InChIKey

VHGISLOQNDQFIW-UHFFFAOYSA-N

Compound name

4-(1H-indol-3-ylmethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 15
Patents: 216.12627 Da
Monoisotopic Mass: 1.4
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]+	217.13355	146.9
[M+Na]+	239.11549	153.9
[M-H]-	215.11899	150.5
[M+NH4]+	234.16009	163.2
[M+K]+	255.08943	150.3
[M+H-H2O]+	199.12353	138.6
[M+HCOO]-	261.12447	164.5
[M+CH3COO]-	275.14012	158.5
[M+Na-2H]-	237.10094	153.1
[M]+	216.12572	143.9
[M]-	216.12682	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe