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]+ 122.00927 119.7
[M+Na]+ 143.99121 127.2
[M-H]- 119.99471 120.2
[M+NH4]+ 139.03581 142.2
[M+K]+ 159.96515 124.6
[M+H-H2O]+ 103.99925 114.7
[M+HCOO]- 166.00019 132.6
[M+CH3COO]- 180.01584 171.2
[M+Na-2H]- 141.97666 121.1
[M]+ 121.00144 120.2
[M]- 121.00254 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.