CID 90151

23545-62-2

Structural Information

Molecular Formula
C7H14N2O3S2
SMILES
CC(C)(CSS(=O)(=O)O)NCCC#N
InChI
InChI=1S/C7H14N2O3S2/c1-7(2,9-5-3-4-8)6-13-14(10,11)12/h9H,3,5-6H2,1-2H3,(H,10,11,12)
InChIKey
DUDYCTFOKLFKCC-UHFFFAOYSA-N
Compound name
2-(2-cyanoethylamino)-2-methyl-1-sulfosulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04459 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05187 145.9
[M+Na]+ 261.03381 151.5
[M+NH4]+ 256.07841 148.4
[M+K]+ 277.00775 143.2
[M-H]- 237.03731 136.5
[M+Na-2H]- 259.01926 144.7
[M]+ 238.04404 143.8
[M]- 238.04514 143.8
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.