CID 218161

S-((n-6-hydroxyhexylamidino)methyl) hydrogen thiosulfate

Structural Information

Molecular Formula
C8H18N2O4S2
SMILES
C(CCCO)CCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C8H18N2O4S2/c9-8(7-15-16(12,13)14)10-5-3-1-2-4-6-11/h11H,1-7H2,(H2,9,10)(H,12,13,14)
InChIKey
SDOHGYUYKZFOOW-UHFFFAOYSA-N
Compound name
1-[(1-amino-2-sulfosulfanylethylidene)amino]-6-hydroxyhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0708 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07808 158.0
[M+Na]+ 293.06002 161.6
[M-H]- 269.06352 154.8
[M+NH4]+ 288.10462 172.5
[M+K]+ 309.03396 156.9
[M+H-H2O]+ 253.06806 151.1
[M+HCOO]- 315.06900 168.0
[M+CH3COO]- 329.08465 194.4
[M+Na-2H]- 291.04547 158.0
[M]+ 270.07025 159.9
[M]- 270.07135 159.9
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.