CID 410109

Carbamodithioic acid, 1,2-ethanediylbis(methyl-, disodium salt

Structural Information

Molecular Formula
C6H12N2S4
SMILES
CN(CCN(C)C(=S)S)C(=S)S
InChI
InChI=1S/C6H12N2S4/c1-7(5(9)10)3-4-8(2)6(11)12/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
QGKKVHTVOAHMBK-UHFFFAOYSA-N
Compound name
2-[dithiocarboxy(methyl)amino]ethyl-methylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

239.98833 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.995606 150.2
[M+Na]+ 262.977548 154.4
[M-H]- 238.981054 150.2
[M+NH4]+ 258.022153 166.7
[M+K]+ 278.951488 148.1
[M+H-H2O]+ 222.985590 142.3
[M+HCOO]- 284.986531 149.1
[M+CH3COO]- 299.002181 202.3
[M+Na-2H]- 260.962996 147.6
[M]+ 239.98778142 148.6
[M]- 239.98887858 148.6
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

patents stripe