CID 3055451

Brn 2467752

Structural Information

Molecular Formula
C16H24O2S
SMILES
CCOC(=O)C(C)(C)SC1=C(C(=CC(=C1C)C)C)C
InChI
InChI=1S/C16H24O2S/c1-8-18-15(17)16(6,7)19-14-12(4)10(2)9-11(3)13(14)5/h9H,8H2,1-7H3
InChIKey
DZHOWLUXGOZQPS-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1497 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15698 169.5
[M+Na]+ 303.13892 181.3
[M+NH4]+ 298.18352 177.1
[M+K]+ 319.11286 173.3
[M-H]- 279.14242 170.9
[M+Na-2H]- 301.12437 173.2
[M]+ 280.14915 172.2
[M]- 280.15025 172.2
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.