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 156.7
[M+Na]+ 286.08722 163.6
[M-H]- 262.09072 162.1
[M+NH4]+ 281.13182 173.3
[M+K]+ 302.06116 160.6
[M+H-H2O]+ 246.09526 150.2
[M+HCOO]- 308.09620 170.0
[M+CH3COO]- 322.11185 168.1
[M+Na-2H]- 284.07267 159.0
[M]+ 263.09745 157.0
[M]- 263.09855 157.0
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.