CID 2762541

62268-47-7

Structural Information

Molecular Formula
C20H38O4S2
SMILES
CCCCC(CC)COC(=O)CSSCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C20H38O4S2/c1-5-9-11-17(7-3)13-23-19(21)15-25-26-16-20(22)24-14-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3
InChIKey
YREDCFUZMPDCSM-UHFFFAOYSA-N
Compound name
2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]disulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

406.22116 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22844 201.7
[M+Na]+ 429.21038 201.5
[M-H]- 405.21388 198.9
[M+NH4]+ 424.25498 212.7
[M+K]+ 445.18432 197.6
[M+H-H2O]+ 389.21842 193.7
[M+HCOO]- 451.21936 206.7
[M+CH3COO]- 465.23501 224.3
[M+Na-2H]- 427.19583 193.1
[M]+ 406.22061 212.3
[M]- 406.22171 212.3
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

patents stripe