CID 4995032

16696-83-6

Structural Information

Molecular Formula
C2H5NS2
SMILES
CSC(=S)N
InChI
InChI=1S/C2H5NS2/c1-5-2(3)4/h1H3,(H2,3,4)
InChIKey
PLMHQXSIADFDIE-UHFFFAOYSA-N
Compound name
methyl carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

544
Patents

106.98634 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.99362 115.7
[M+Na]+ 129.97556 123.6
[M-H]- 105.97906 115.9
[M+NH4]+ 125.02016 138.6
[M+K]+ 145.94950 120.9
[M+H-H2O]+ 89.983600 111.0
[M+HCOO]- 151.98454 128.4
[M+CH3COO]- 166.00019 167.5
[M+Na-2H]- 127.96101 116.6
[M]+ 106.98579 114.8
[M]- 106.98689 114.8
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.