CID 10493748

117651-91-9

Structural Information

Molecular Formula
C12H18O2S3
SMILES
CC(=C)C(=O)SCCSCCSC(=O)C(=C)C
InChI
InChI=1S/C12H18O2S3/c1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4/h1,3,5-8H2,2,4H3
InChIKey
LBROROBTVMUJEB-UHFFFAOYSA-N
Compound name
S-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethyl] 2-methylprop-2-enethioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

366
Patents

290.0469 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05418 164.1
[M+Na]+ 313.03612 167.7
[M-H]- 289.03962 162.3
[M+NH4]+ 308.08072 179.2
[M+K]+ 329.01006 161.3
[M+H-H2O]+ 273.04416 157.6
[M+HCOO]- 335.04510 165.0
[M+CH3COO]- 349.06075 201.2
[M+Na-2H]- 311.02157 157.9
[M]+ 290.04635 166.7
[M]- 290.04745 166.7
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