CID 74178

1620-48-0

Structural Information

Molecular Formula
C15H24OS
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CS
InChI
InChI=1S/C15H24OS/c1-14(2,3)11-7-10(9-17)8-12(13(11)16)15(4,5)6/h7-8,16-17H,9H2,1-6H3
InChIKey
SMMZXHBQLPPFJF-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(sulfanylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

252.15479 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16207 158.9
[M+Na]+ 275.14401 166.9
[M-H]- 251.14751 161.8
[M+NH4]+ 270.18861 177.2
[M+K]+ 291.11795 163.3
[M+H-H2O]+ 235.15205 154.1
[M+HCOO]- 297.15299 171.8
[M+CH3COO]- 311.16864 195.6
[M+Na-2H]- 273.12946 160.0
[M]+ 252.15424 162.7
[M]- 252.15534 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe