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

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]+	270.152236	167.0
[M+Na]+	292.134178	172.4
[M-H]-	268.137684	169.9
[M+NH4]+	287.178783	187.9
[M+K]+	308.108118	169.9
[M+H-H2O]+	252.142220	162.4
[M+HCOO]-	314.143161	182.0
[M+CH3COO]-	328.158811	196.1
[M+Na-2H]-	290.119626	166.5
[M]+	269.14441142	169.7
[M]-	269.14550858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.