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]+ 281.09880 161.0
[M+Na]+ 303.08074 163.4
[M-H]- 279.08424 161.6
[M+NH4]+ 298.12534 175.8
[M+K]+ 319.05468 159.0
[M+H-H2O]+ 263.08878 154.2
[M+HCOO]- 325.08972 169.5
[M+CH3COO]- 339.10537 197.3
[M+Na-2H]- 301.06619 161.1
[M]+ 280.09097 158.3
[M]- 280.09207 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.