CID 3070516

1-(tert-butylamino)-3-(5-methyl-3-thienyloxy)-2-propanol

Structural Information

Molecular Formula
C12H21NO2S
SMILES
CC1=CC(=CS1)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C12H21NO2S/c1-9-5-11(8-16-9)15-7-10(14)6-13-12(2,3)4/h5,8,10,13-14H,6-7H2,1-4H3
InChIKey
XWIZUVFVHLEVLD-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(5-methylthiophen-3-yl)oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1293 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13658 158.7
[M+Na]+ 266.11852 166.2
[M+NH4]+ 261.16312 165.9
[M+K]+ 282.09246 161.6
[M-H]- 242.12202 159.0
[M+Na-2H]- 264.10397 161.3
[M]+ 243.12875 160.1
[M]- 243.12985 160.1
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.