CID 3063250

Phenethylamine, beta-(isopropylthio)-p-methoxy-, hydrochloride

Structural Information

Molecular Formula
C12H19NOS
SMILES
CC(C)SC(CN)C1=CC=C(C=C1)OC
InChI
InChI=1S/C12H19NOS/c1-9(2)15-12(8-13)10-4-6-11(14-3)7-5-10/h4-7,9,12H,8,13H2,1-3H3
InChIKey
OVKYWQBOQGNJFU-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-propan-2-ylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11873 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12601 151.9
[M+Na]+ 248.10795 157.6
[M-H]- 224.11145 154.8
[M+NH4]+ 243.15255 170.2
[M+K]+ 264.08189 154.9
[M+H-H2O]+ 208.11599 145.4
[M+HCOO]- 270.11693 168.6
[M+CH3COO]- 284.13258 193.2
[M+Na-2H]- 246.09340 151.6
[M]+ 225.11818 153.8
[M]- 225.11928 153.8
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.