CID 6437931

63979-92-0

Structural Information

Molecular Formula
C10H14O2S3
SMILES
CC(=O)SC/C=C/S/C=C/CSC(=O)C
InChI
InChI=1S/C10H14O2S3/c1-9(11)14-7-3-5-13-6-4-8-15-10(2)12/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKey
STEAHRMZOBVQGD-GGWOSOGESA-N
Compound name
S-[(E)-3-[(E)-3-acetylsulfanylprop-1-enyl]sulfanylprop-2-enyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.0156 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02288 159.4
[M+Na]+ 285.00482 166.1
[M+NH4]+ 280.04942 166.1
[M+K]+ 300.97876 155.5
[M-H]- 261.00832 158.0
[M+Na-2H]- 282.99027 158.4
[M]+ 262.01505 161.0
[M]- 262.01615 161.0
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