CID 3000646

Sodium ethylcarbamodithioate

Structural Information

Molecular Formula
C3H7NS2
SMILES
CCNC(=S)S
InChI
InChI=1S/C3H7NS2/c1-2-4-3(5)6/h2H2,1H3,(H2,4,5,6)
InChIKey
MIHRVCSSMAGKNH-UHFFFAOYSA-N
Compound name
ethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

540
Patents

121.00199 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.009266 119.7
[M+Na]+ 143.991208 127.2
[M-H]- 119.994714 120.2
[M+NH4]+ 139.035813 142.2
[M+K]+ 159.965148 124.6
[M+H-H2O]+ 103.999250 114.7
[M+HCOO]- 166.000191 132.6
[M+CH3COO]- 180.015841 171.2
[M+Na-2H]- 141.976656 121.1
[M]+ 121.00144142 120.2
[M]- 121.00253858 120.2
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