CID 3003255

Ethanedithioamide, n,n-dimethyl-

Structural Information

Molecular Formula
C4H8N2S2
SMILES
CN(C)C(=S)C(=S)N
InChI
InChI=1S/C4H8N2S2/c1-6(2)4(8)3(5)7/h1-2H3,(H2,5,7)
InChIKey
AGUSCPNQHJYZIK-UHFFFAOYSA-N
Compound name
N',N'-dimethylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

148.0129 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.02018 128.5
[M+Na]+ 171.00212 134.7
[M-H]- 147.00562 129.5
[M+NH4]+ 166.04672 149.7
[M+K]+ 186.97606 132.4
[M+H-H2O]+ 131.01016 122.5
[M+HCOO]- 193.01110 140.7
[M+CH3COO]- 207.02675 180.9
[M+Na-2H]- 168.98757 127.2
[M]+ 148.01235 127.3
[M]- 148.01345 127.3
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