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]+ 212.11037 146.9
[M+Na]+ 234.09231 151.9
[M-H]- 210.09581 148.6
[M+NH4]+ 229.13691 165.1
[M+K]+ 250.06625 148.4
[M+H-H2O]+ 194.10035 140.5
[M+HCOO]- 256.10129 164.1
[M+CH3COO]- 270.11694 186.2
[M+Na-2H]- 232.07776 149.5
[M]+ 211.10254 147.8
[M]- 211.10364 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.