CID 21598

Potassium allyl xanthate

Structural Information

Molecular Formula
C4H6OS2
SMILES
C=CCOC(=S)S
InChI
InChI=1S/C4H6OS2/c1-2-3-5-4(6)7/h2H,1,3H2,(H,6,7)
InChIKey
UJORDWJYFIZLOT-UHFFFAOYSA-N
Compound name
prop-2-enoxymethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

133.98601 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.99329 126.8
[M+Na]+ 156.97523 136.4
[M+NH4]+ 152.01983 135.6
[M+K]+ 172.94917 127.3
[M-H]- 132.97873 126.7
[M+Na-2H]- 154.96068 129.0
[M]+ 133.98546 128.9
[M]- 133.98656 128.9
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