CID 23870

Alpha-(morpholinomethyl)benzo(b)thiophene-3-methanol hydrochloride

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10528 156.4
[M+Na]+ 286.08722 168.7
[M+NH4]+ 281.13182 165.7
[M+K]+ 302.06116 162.0
[M-H]- 262.09072 161.3
[M+Na-2H]- 284.07267 162.2
[M]+ 263.09745 160.0
[M]- 263.09855 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.