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
9
Annotation Hits

192
References

45942
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 115.4
[M+Na]+ 129.97556 123.3
[M-H]- 105.97906 116.2
[M+NH4]+ 125.02016 138.5
[M+K]+ 145.94950 121.0
[M+H-H2O]+ 89.983600 110.6
[M+HCOO]- 151.98454 128.7
[M+CH3COO]- 166.00019 168.2
[M+Na-2H]- 127.96101 117.3
[M]+ 106.98579 115.5
[M]- 106.98689 115.5
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.