CID 2777982

Dithiooxamide

Structural Information

Molecular Formula
C2H4N2S2
SMILES
C(=S)(C(=S)N)N
InChI
InChI=1S/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
InChIKey
OAEGRYMCJYIXQT-UHFFFAOYSA-N
Compound name
ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

70
References

3130
Patents

119.98159 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.98887 119.7
[M+Na]+ 142.97081 126.6
[M-H]- 118.97431 119.0
[M+NH4]+ 138.01541 141.0
[M+K]+ 158.94475 122.9
[M+H-H2O]+ 102.97885 114.3
[M+HCOO]- 164.97979 131.5
[M+CH3COO]- 178.99544 171.5
[M+Na-2H]- 140.95626 119.0
[M]+ 119.98104 115.6
[M]- 119.98214 115.6
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