CID 8823

Ethylxanthate

Structural Information

Molecular Formula
C3H6OS2
SMILES
CCOC(=S)S
InChI
InChI=1S/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)
InChIKey
ZOOODBUHSVUZEM-UHFFFAOYSA-N
Compound name
ethoxymethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

57
References

55911
Patents

121.98601 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.99329 119.1
[M+Na]+ 144.97523 127.4
[M-H]- 120.97873 119.9
[M+NH4]+ 140.01983 142.0
[M+K]+ 160.94917 125.6
[M+H-H2O]+ 104.98327 114.6
[M+HCOO]- 166.98421 131.6
[M+CH3COO]- 180.99986 168.6
[M+Na-2H]- 142.96068 120.2
[M]+ 121.98546 121.9
[M]- 121.98656 121.9
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