CID 174158

Pentasulfide, bis(2,2,4-trimethylpentyl)

Structural Information

Molecular Formula
C16H34S5
SMILES
CC(C)CC(C)(C)CSSSSSCC(C)(C)CC(C)C
InChI
InChI=1S/C16H34S5/c1-13(2)9-15(5,6)11-17-19-21-20-18-12-16(7,8)10-14(3)4/h13-14H,9-12H2,1-8H3
InChIKey
AMIJQOBXZNYGJF-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1-(2,2,4-trimethylpentylpentasulfanyl)pentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

386.1264 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13368 191.0
[M+Na]+ 409.11562 191.8
[M-H]- 385.11912 185.3
[M+NH4]+ 404.16022 200.7
[M+K]+ 425.08956 180.7
[M+H-H2O]+ 369.12366 182.5
[M+HCOO]- 431.12460 177.4
[M+CH3COO]- 445.14025 222.7
[M+Na-2H]- 407.10107 186.8
[M]+ 386.12585 188.4
[M]- 386.12695 188.4
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.