CID 3001860

Carbamodithioate

Structural Information

Molecular Formula
CH3NS2
SMILES
C(=S)(N)S
InChI
InChI=1S/CH3NS2/c2-1(3)4/h(H3,2,3,4)
InChIKey
DKVNPHBNOWQYFE-UHFFFAOYSA-N
Compound name
carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

0
References

114858
Patents

92.97069 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.977966 111.3
[M+Na]+ 115.95991 119.5
[M-H]- 91.963414 111.6
[M+NH4]+ 111.00451 134.6
[M+K]+ 131.93385 117.1
[M+H-H2O]+ 75.967950 106.7
[M+HCOO]- 137.96889 124.2
[M+CH3COO]- 151.98454 165.2
[M+Na-2H]- 113.94536 112.6
[M]+ 92.970141 110.1
[M]- 92.971239 110.1
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