CID 3063176

100054-70-4

Structural Information

Molecular Formula
C11H17NOS
SMILES
CCSC(CN)C1=CC=C(C=C1)OC
InChI
InChI=1S/C11H17NOS/c1-3-14-11(8-12)9-4-6-10(13-2)7-5-9/h4-7,11H,3,8,12H2,1-2H3
InChIKey
SIUCCBHKNFCTRH-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-2-(4-methoxyphenyl)ethanamine
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 157.8
[M+NH4]+ 229.13691 155.8
[M+K]+ 250.06625 149.4
[M-H]- 210.09581 149.8
[M+Na-2H]- 232.07776 152.5
[M]+ 211.10254 149.7
[M]- 211.10364 149.7
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.