CID 218164

S-((n-(3-methoxypropyl)amidino)methyl) hydrogen thiosulfate hydrate

Structural Information

Molecular Formula
C6H14N2O4S2
SMILES
COCCCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C6H14N2O4S2/c1-12-4-2-3-8-6(7)5-13-14(9,10)11/h2-5H2,1H3,(H2,7,8)(H,9,10,11)
InChIKey
XMIVRYNNGALYOJ-UHFFFAOYSA-N
Compound name
1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0395 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04678 152.7
[M+Na]+ 265.02872 157.2
[M+NH4]+ 260.07332 157.7
[M+K]+ 281.00266 151.4
[M-H]- 241.03222 150.1
[M+Na-2H]- 263.01417 152.2
[M]+ 242.03895 152.9
[M]- 242.04005 152.9
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.