CID 3041849

58708-59-1

Structural Information

Molecular Formula
C7H14N2S4
SMILES
CN(CCCN(C)C(=S)S)C(=S)S
InChI
InChI=1S/C7H14N2S4/c1-8(6(10)11)4-3-5-9(2)7(12)13/h3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKey
UDTQZLXDJBYQBC-UHFFFAOYSA-N
Compound name
3-[dithiocarboxy(methyl)amino]propyl-methylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00398 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01126 153.9
[M+Na]+ 276.99320 157.7
[M-H]- 252.99670 153.7
[M+NH4]+ 272.03780 169.9
[M+K]+ 292.96714 151.2
[M+H-H2O]+ 237.00124 145.9
[M+HCOO]- 299.00218 152.6
[M+CH3COO]- 313.01783 205.0
[M+Na-2H]- 274.97865 151.0
[M]+ 254.00343 152.6
[M]- 254.00453 152.6
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

No patent data available for this compound.