CID 44607758

913718-45-3

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

C1COCC(N1)CC2=CNC3=CC=CC=C32

InChI

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

InChIKey

OBEIPTLFNWMGFT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 216.12627 Da
Monoisotopic Mass: 1.8
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]+	217.133546	147.0
[M+Na]+	239.115488	153.7
[M-H]-	215.118994	149.4
[M+NH4]+	234.160093	162.7
[M+K]+	255.089428	149.2
[M+H-H2O]+	199.123530	139.1
[M+HCOO]-	261.124471	163.2
[M+CH3COO]-	275.140121	158.0
[M+Na-2H]-	237.100936	152.9
[M]+	216.12572142	142.3
[M]-	216.12681858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe