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]+ 226.126006 151.9
[M+Na]+ 248.107948 157.6
[M-H]- 224.111454 154.8
[M+NH4]+ 243.152553 170.2
[M+K]+ 264.081888 154.9
[M+H-H2O]+ 208.115990 145.4
[M+HCOO]- 270.116931 168.6
[M+CH3COO]- 284.132581 193.2
[M+Na-2H]- 246.093396 151.6
[M]+ 225.11818142 153.8
[M]- 225.11927858 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.