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

literature stripe

Patent stripe

patents stripe