CID 31471

22656-77-5

Structural Information

Molecular Formula
C7H14N2S4
SMILES
CN(C)C(=S)SCSC(=S)N(C)C
InChI
InChI=1S/C7H14N2S4/c1-8(2)6(10)12-5-13-7(11)9(3)4/h5H2,1-4H3
InChIKey
SVEFOVSCPCGMJS-UHFFFAOYSA-N
Compound name
dimethylcarbamothioylsulfanylmethyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

254.00398 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01126 154.2
[M+Na]+ 276.99320 158.1
[M-H]- 252.99670 154.0
[M+NH4]+ 272.03780 170.4
[M+K]+ 292.96714 151.6
[M+H-H2O]+ 237.00124 146.2
[M+HCOO]- 299.00218 152.9
[M+CH3COO]- 313.01783 203.8
[M+Na-2H]- 274.97865 151.2
[M]+ 254.00343 152.8
[M]- 254.00453 152.8
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