CID 111689

68891-92-9

Structural Information

Molecular Formula
C14H26O7S2
SMILES
C(CS)C(=O)OCCOCCOCCOCCOC(=O)CCS
InChI
InChI=1S/C14H26O7S2/c15-13(1-11-22)20-9-7-18-5-3-17-4-6-19-8-10-21-14(16)2-12-23/h22-23H,1-12H2
InChIKey
BXYWKXBAMJYTKP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(3-sulfanylpropanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4201
Patents

370.112 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11928 184.3
[M+Na]+ 393.10122 186.5
[M-H]- 369.10472 182.3
[M+NH4]+ 388.14582 196.5
[M+K]+ 409.07516 184.4
[M+H-H2O]+ 353.10926 176.5
[M+HCOO]- 415.11020 194.1
[M+CH3COO]- 429.12585 211.3
[M+Na-2H]- 391.08667 181.2
[M]+ 370.11145 198.0
[M]- 370.11255 198.0
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