CID 3069891

1-((5,6-dihydro-4h-cyclopenta(b)thien-3-yl)oxy)-3-((1-methylethyl)amino)-2-propanol hcl

Structural Information

Molecular Formula

C₁₃H₂₁NO₂S

SMILES

CC(C)NCC(COC1=CSC2=C1CCC2)O

InChI

InChI=1S/C13H21NO2S/c1-9(2)14-6-10(15)7-16-12-8-17-13-5-3-4-11(12)13/h8-10,14-15H,3-7H2,1-2H3

InChIKey

RMBQZESOIARHDW-UHFFFAOYSA-N

Compound name

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-yloxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.1293 Da
Monoisotopic Mass: 2.0
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]+	256.136576	162.1
[M+Na]+	278.118518	167.2
[M-H]-	254.122024	164.9
[M+NH4]+	273.163123	183.3
[M+K]+	294.092458	164.9
[M+H-H2O]+	238.126560	157.0
[M+HCOO]-	300.127501	177.9
[M+CH3COO]-	314.143151	194.3
[M+Na-2H]-	276.103966	160.0
[M]+	255.12875142	164.4
[M]-	255.12984858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.