CID 3069906

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

Structural Information

Molecular Formula
C14H23NO2S
SMILES
CC(C)(C)NCC(COC1=CSC2=C1CCC2)O
InChI
InChI=1S/C14H23NO2S/c1-14(2,3)15-7-10(16)8-17-12-9-18-13-6-4-5-11(12)13/h9-10,15-16H,4-8H2,1-3H3
InChIKey
YCWQYSCRDHZQJA-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.15224 167.0
[M+Na]+ 292.13418 172.4
[M-H]- 268.13768 169.9
[M+NH4]+ 287.17878 187.9
[M+K]+ 308.10812 169.9
[M+H-H2O]+ 252.14222 162.4
[M+HCOO]- 314.14316 182.0
[M+CH3COO]- 328.15881 196.1
[M+Na-2H]- 290.11963 166.5
[M]+ 269.14441 169.7
[M]- 269.14551 169.7
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.