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 162.1
[M+Na]+ 278.11852 167.2
[M-H]- 254.12202 164.9
[M+NH4]+ 273.16312 183.3
[M+K]+ 294.09246 164.9
[M+H-H2O]+ 238.12656 157.0
[M+HCOO]- 300.12750 177.9
[M+CH3COO]- 314.14315 194.3
[M+Na-2H]- 276.10397 160.0
[M]+ 255.12875 164.4
[M]- 255.12985 164.4
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.