CID 11160389

1,1-dimethoxy-4,4-bis(methylsulfanyl)but-3-en-2-one

Structural Information

Molecular Formula
C8H14O3S2
SMILES
COC(C(=O)C=C(SC)SC)OC
InChI
InChI=1S/C8H14O3S2/c1-10-8(11-2)6(9)5-7(12-3)13-4/h5,8H,1-4H3
InChIKey
AHQXYBZUUXDFAX-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-4,4-bis(methylsulfanyl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

222.03844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04572 149.5
[M+Na]+ 245.02766 156.6
[M+NH4]+ 240.07226 156.3
[M+K]+ 261.00160 149.4
[M-H]- 221.03116 147.7
[M+Na-2H]- 243.01311 149.5
[M]+ 222.03789 150.6
[M]- 222.03899 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe