CID 109859

Tert-hexadecanethiol, gold(3+) salt

Structural Information

Molecular Formula
C16H34S
SMILES
CC(C)(C)CCCCCCCCCC(C)(C)S
InChI
InChI=1S/C16H34S/c1-15(2,3)13-11-9-7-6-8-10-12-14-16(4,5)17/h17H,6-14H2,1-5H3
InChIKey
OSEPPHZTQZKYGB-UHFFFAOYSA-N
Compound name
2,12,12-trimethyltridecane-2-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

258.23813 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.245406 169.2
[M+Na]+ 281.227348 173.2
[M-H]- 257.230854 168.5
[M+NH4]+ 276.271953 187.4
[M+K]+ 297.201288 170.3
[M+H-H2O]+ 241.235390 163.9
[M+HCOO]- 303.236331 181.4
[M+CH3COO]- 317.251981 201.5
[M+Na-2H]- 279.212796 169.1
[M]+ 258.23758142 175.3
[M]- 258.23867858 175.3
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.