CID 214483

33286-57-6

Structural Information

Molecular Formula
C7H15NO2S4
SMILES
CN(C)C(=S)SSCCCCS(=O)O
InChI
InChI=1S/C7H15NO2S4/c1-8(2)7(11)13-12-5-3-4-6-14(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKey
VDFQXOUKURLJAS-UHFFFAOYSA-N
Compound name
4-(dimethylcarbamothioyldisulfanyl)butane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.99857 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.00585 157.2
[M+Na]+ 295.98779 160.7
[M-H]- 271.99129 154.2
[M+NH4]+ 291.03239 171.5
[M+K]+ 311.96173 152.9
[M+H-H2O]+ 255.99583 149.9
[M+HCOO]- 317.99677 154.3
[M+CH3COO]- 332.01242 198.7
[M+Na-2H]- 293.97324 154.3
[M]+ 272.99802 156.3
[M]- 272.99912 156.3
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.