CID 218163

40283-81-6

Structural Information

Molecular Formula
C10H20N2O4S2
SMILES
C1CC(CCC1CN=C(CSS(=O)(=O)O)N)CO
InChI
InChI=1S/C10H20N2O4S2/c11-10(7-17-18(14,15)16)12-5-8-1-3-9(6-13)4-2-8/h8-9,13H,1-7H2,(H2,11,12)(H,14,15,16)
InChIKey
WIWKLJSVMPRVIK-UHFFFAOYSA-N
Compound name
1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-4-(hydroxymethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.08646 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09374 163.3
[M+Na]+ 319.07568 165.6
[M-H]- 295.07918 162.6
[M+NH4]+ 314.12028 176.7
[M+K]+ 335.04962 160.9
[M+H-H2O]+ 279.08372 156.7
[M+HCOO]- 341.08466 170.4
[M+CH3COO]- 355.10031 198.4
[M+Na-2H]- 317.06113 162.8
[M]+ 296.08591 160.5
[M]- 296.08701 160.5
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.