CID 3059112

Brn 4994242

Structural Information

Molecular Formula
C11H19NO2S
SMILES
CC(C)(C)NCC(COC1=CC=CS1)O
InChI
InChI=1S/C11H19NO2S/c1-11(2,3)12-7-9(13)8-14-10-5-4-6-15-10/h4-6,9,12-13H,7-8H2,1-3H3
InChIKey
UZEKYZDALBSYQT-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-thiophen-2-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11365 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12093 154.7
[M+Na]+ 252.10287 160.2
[M-H]- 228.10637 156.8
[M+NH4]+ 247.14747 174.2
[M+K]+ 268.07681 158.0
[M+H-H2O]+ 212.11091 149.1
[M+HCOO]- 274.11185 171.4
[M+CH3COO]- 288.12750 188.0
[M+Na-2H]- 250.08832 155.9
[M]+ 229.11310 157.3
[M]- 229.11420 157.3
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.