CID 10156538

141631-22-3

Structural Information

Molecular Formula
C16H26O4S3
SMILES
CC(=C)C(=O)OCCSCCSCCSCCOC(=O)C(=C)C
InChI
InChI=1S/C16H26O4S3/c1-13(2)15(17)19-5-7-21-9-11-23-12-10-22-8-6-20-16(18)14(3)4/h1,3,5-12H2,2,4H3
InChIKey
XSNDDHPDSNPUKD-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
Patents

378.09933 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10661 186.5
[M+Na]+ 401.08855 190.3
[M+NH4]+ 396.13315 190.8
[M+K]+ 417.06249 181.2
[M-H]- 377.09205 183.3
[M+Na-2H]- 399.07400 183.4
[M]+ 378.09878 187.0
[M]- 378.09988 187.0
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