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]+ 212.110366 147.0
[M+Na]+ 234.092308 153.4
[M-H]- 210.095814 150.0
[M+NH4]+ 229.136913 165.9
[M+K]+ 250.066248 150.4
[M+H-H2O]+ 194.100350 140.6
[M+HCOO]- 256.101291 165.0
[M+CH3COO]- 270.116941 189.3
[M+Na-2H]- 232.077756 148.3
[M]+ 211.10254142 149.1
[M]- 211.10363858 149.1
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.