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 150.1
[M+Na]+ 238.08722 155.2
[M-H]- 214.09072 152.0
[M+NH4]+ 233.13182 169.8
[M+K]+ 254.06116 153.2
[M+H-H2O]+ 198.09526 143.9
[M+HCOO]- 260.09620 167.5
[M+CH3COO]- 274.11185 186.1
[M+Na-2H]- 236.07267 149.7
[M]+ 215.09745 152.2
[M]- 215.09855 152.2
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.