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

807
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 122.6
[M+Na]+ 156.97523 130.8
[M-H]- 132.97873 123.2
[M+NH4]+ 152.01983 145.0
[M+K]+ 172.94917 128.1
[M+H-H2O]+ 116.98327 117.9
[M+HCOO]- 178.98421 135.0
[M+CH3COO]- 192.99986 170.6
[M+Na-2H]- 154.96068 123.2
[M]+ 133.98546 125.1
[M]- 133.98656 125.1
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