CID 227722

Nsc19692

Structural Information

Molecular Formula
C8H16N2O2S5
SMILES
CN(C)COC(=S)SSSC(=S)OCN(C)C
InChI
InChI=1S/C8H16N2O2S5/c1-9(2)5-11-7(13)15-17-16-8(14)12-6-10(3)4/h5-6H2,1-4H3
InChIKey
NKXRXLHQEBTADD-UHFFFAOYSA-N
Compound name
O-[(dimethylamino)methyl] [(dimethylamino)methoxycarbothioyltrisulfanyl]methanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.98154 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.98882 176.3
[M+Na]+ 354.97076 178.2
[M-H]- 330.97426 173.5
[M+NH4]+ 350.01536 187.7
[M+K]+ 370.94470 168.7
[M+H-H2O]+ 314.97880 167.1
[M+HCOO]- 376.97974 168.6
[M+CH3COO]- 390.99539 215.5
[M+Na-2H]- 352.95621 174.5
[M]+ 331.98099 173.5
[M]- 331.98209 173.5
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.