CID 3076663

131964-93-7

Structural Information

Molecular Formula
C13H17NO2S
SMILES
CNCCOCC(C1=CC2=CC=CC=C2S1)O
InChI
InChI=1S/C13H17NO2S/c1-14-6-7-16-9-11(15)13-8-10-4-2-3-5-12(10)17-13/h2-5,8,11,14-15H,6-7,9H2,1H3
InChIKey
BKOFNNQGGVKXDO-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.098 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10528 155.0
[M+Na]+ 274.08722 162.7
[M-H]- 250.09072 158.5
[M+NH4]+ 269.13182 174.9
[M+K]+ 290.06116 158.8
[M+H-H2O]+ 234.09526 149.2
[M+HCOO]- 296.09620 174.1
[M+CH3COO]- 310.11185 192.5
[M+Na-2H]- 272.07267 158.3
[M]+ 251.09745 159.9
[M]- 251.09855 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.