CID 5171446

3,18-dioxa-6,9,12,15-tetrathiaicosane

Structural Information

Molecular Formula
C14H30O2S4
SMILES
CCOCCSCCSCCSCCSCCOCC
InChI
InChI=1S/C14H30O2S4/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3
InChIKey
ADIDAURWIVHDMA-UHFFFAOYSA-N
Compound name
1-ethoxy-2-[2-[2-[2-(2-ethoxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.11285 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12013 176.6
[M+Na]+ 381.10207 179.1
[M-H]- 357.10557 172.9
[M+NH4]+ 376.14667 188.8
[M+K]+ 397.07601 170.1
[M+H-H2O]+ 341.11011 168.8
[M+HCOO]- 403.11105 174.7
[M+CH3COO]- 417.12670 213.5
[M+Na-2H]- 379.08752 173.0
[M]+ 358.11230 181.9
[M]- 358.11340 181.9
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.