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]+ 216.105276 150.1
[M+Na]+ 238.087218 155.2
[M-H]- 214.090724 152.0
[M+NH4]+ 233.131823 169.8
[M+K]+ 254.061158 153.2
[M+H-H2O]+ 198.095260 143.9
[M+HCOO]- 260.096201 167.5
[M+CH3COO]- 274.111851 186.1
[M+Na-2H]- 236.072666 149.7
[M]+ 215.09745142 152.2
[M]- 215.09854858 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.