CID 3059111

Brn 4993183

Structural Information

Molecular Formula
C10H17NO2S
SMILES
CC(C)NCC(COC1=CC=CS1)O
InChI
InChI=1S/C10H17NO2S/c1-8(2)11-6-9(12)7-13-10-4-3-5-14-10/h3-5,8-9,11-12H,6-7H2,1-2H3
InChIKey
UWIWUJKCNHBMMC-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-thiophen-2-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.098 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10528 149.1
[M+Na]+ 238.08722 156.6
[M+NH4]+ 233.13182 156.7
[M+K]+ 254.06116 151.9
[M-H]- 214.09072 149.8
[M+Na-2H]- 236.07267 152.2
[M]+ 215.09745 150.5
[M]- 215.09855 150.5
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.