CID 22171

5877-16-7

Structural Information

Molecular Formula
C11H17NOS
SMILES
CC(CSC1=CC=CC=C1)NCCO
InChI
InChI=1S/C11H17NOS/c1-10(12-7-8-13)9-14-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKey
ANSUFFQBQSMRFA-UHFFFAOYSA-N
Compound name
2-(1-phenylsulfanylpropan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10309 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.110366 146.9
[M+Na]+ 234.092308 151.9
[M-H]- 210.095814 148.6
[M+NH4]+ 229.136913 165.1
[M+K]+ 250.066248 148.4
[M+H-H2O]+ 194.100350 140.5
[M+HCOO]- 256.101291 164.1
[M+CH3COO]- 270.116941 186.2
[M+Na-2H]- 232.077756 149.5
[M]+ 211.10254142 147.8
[M]- 211.10363858 147.8
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.