CID 23870

7388-09-2

Structural Information

Molecular Formula

C₁₄H₁₇NO₂S

SMILES

C1COCCN1CC(C2=CSC3=CC=CC=C32)O

InChI

InChI=1S/C14H17NO2S/c16-13(9-15-5-7-17-8-6-15)12-10-18-14-4-2-1-3-11(12)14/h1-4,10,13,16H,5-9H2

InChIKey

GDJPFXNCRRFWRR-UHFFFAOYSA-N

Compound name

1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 263.098 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]+	264.105276	156.7
[M+Na]+	286.087218	163.6
[M-H]-	262.090724	162.1
[M+NH4]+	281.131823	173.3
[M+K]+	302.061158	160.6
[M+H-H2O]+	246.095260	150.2
[M+HCOO]-	308.096201	170.0
[M+CH3COO]-	322.111851	168.1
[M+Na-2H]-	284.072666	159.0
[M]+	263.09745142	157.0
[M]-	263.09854858	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.