CID 3001858

Metam

Structural Information

Molecular Formula
C2H5NS2
SMILES
CNC(=S)S
InChI
InChI=1S/C2H5NS2/c1-3-2(4)5/h1H3,(H2,3,4,5)
InChIKey
HYVVJDQGXFXBRZ-UHFFFAOYSA-N
Compound name
methylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

192
References

31088
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 118.5
[M+Na]+ 129.97556 127.6
[M+NH4]+ 125.02016 128.0
[M+K]+ 145.94950 119.1
[M-H]- 105.97906 119.4
[M+Na-2H]- 127.96101 121.5
[M]+ 106.98579 120.8
[M]- 106.98689 120.8
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