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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13658 159.5
[M+Na]+ 278.11852 165.8
[M+NH4]+ 273.16312 167.6
[M+K]+ 294.09246 162.6
[M-H]- 254.12202 160.3
[M+Na-2H]- 276.10397 160.6
[M]+ 255.12875 160.7
[M]- 255.12985 160.7
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.