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
7
Annotation Hits

0
References

63824
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 113.9
[M+Na]+ 115.95991 123.0
[M+NH4]+ 111.00451 123.4
[M+K]+ 131.93385 114.9
[M-H]- 91.963414 114.7
[M+Na-2H]- 113.94536 116.8
[M]+ 92.970141 116.1
[M]- 92.971239 116.1
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