CID 3070515

Brn 4992809

Structural Information

Molecular Formula
C11H19NO2S
SMILES
CC1=CC(=CS1)OCC(CNC(C)C)O
InChI
InChI=1S/C11H19NO2S/c1-8(2)12-5-10(13)6-14-11-4-9(3)15-7-11/h4,7-8,10,12-13H,5-6H2,1-3H3
InChIKey
NWWBCMHRGLJQJK-UHFFFAOYSA-N
Compound name
1-(5-methylthiophen-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11365 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.120926 154.1
[M+Na]+ 252.102868 159.6
[M-H]- 228.106374 156.2
[M+NH4]+ 247.147473 173.5
[M+K]+ 268.076808 157.4
[M+H-H2O]+ 212.110910 148.1
[M+HCOO]- 274.111851 171.1
[M+CH3COO]- 288.127501 190.3
[M+Na-2H]- 250.088316 152.6
[M]+ 229.11310142 156.9
[M]- 229.11419858 156.9
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.