CID 218152

S-((n-cyclohexylethylamidino)methyl) hydrogen thiosulfate

Structural Information

Molecular Formula
C10H20N2O3S2
SMILES
C1CCC(CC1)CCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C10H20N2O3S2/c11-10(8-16-17(13,14)15)12-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H2,11,12)(H,13,14,15)
InChIKey
ITVNCWVUKPYKMU-UHFFFAOYSA-N
Compound name
2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09152 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.098796 161.0
[M+Na]+ 303.080738 163.4
[M-H]- 279.084244 161.6
[M+NH4]+ 298.125343 175.8
[M+K]+ 319.054678 159.0
[M+H-H2O]+ 263.088780 154.2
[M+HCOO]- 325.089721 169.5
[M+CH3COO]- 339.105371 197.3
[M+Na-2H]- 301.066186 161.1
[M]+ 280.09097142 158.3
[M]- 280.09206858 158.3
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.