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

358
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 187.4
[M+Na]+ 401.08855 188.6
[M-H]- 377.09205 184.4
[M+NH4]+ 396.13315 198.7
[M+K]+ 417.06249 182.2
[M+H-H2O]+ 361.09659 179.8
[M+HCOO]- 423.09753 187.7
[M+CH3COO]- 437.11318 215.9
[M+Na-2H]- 399.07400 180.3
[M]+ 378.09878 193.9
[M]- 378.09988 193.9
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

patents stripe