CID 3059115

Brn 4990366

Structural Information

Molecular Formula
C11H19NO2S
SMILES
CC(C)(C)NCC(COC1=CSC=C1)O
InChI
InChI=1S/C11H19NO2S/c1-11(2,3)12-6-9(13)7-14-10-4-5-15-8-10/h4-5,8-9,12-13H,6-7H2,1-3H3
InChIKey
SFHBYDONMWGREJ-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-thiophen-3-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11365 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.120926 154.7
[M+Na]+ 252.102868 160.2
[M-H]- 228.106374 156.8
[M+NH4]+ 247.147473 174.2
[M+K]+ 268.076808 158.0
[M+H-H2O]+ 212.110910 149.1
[M+HCOO]- 274.111851 171.4
[M+CH3COO]- 288.127501 188.0
[M+Na-2H]- 250.088316 155.9
[M]+ 229.11310142 157.3
[M]- 229.11419858 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.