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

43792
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

literature stripe

Patent stripe

patents stripe