CID 218173

S-((n-((5-methyl-2-thienyl)methyl)amidino)methyl) hydrogen thiosulfate

Structural Information

Molecular Formula
C8H12N2O3S3
SMILES
CC1=CC=C(S1)CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C8H12N2O3S3/c1-6-2-3-7(15-6)4-10-8(9)5-14-16(11,12)13/h2-3H,4-5H2,1H3,(H2,9,10)(H,11,12,13)
InChIKey
YFUWSMRQAKOQQG-UHFFFAOYSA-N
Compound name
2-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-5-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.001 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00828 161.3
[M+Na]+ 302.99022 168.2
[M-H]- 278.99372 163.0
[M+NH4]+ 298.03482 178.0
[M+K]+ 318.96416 161.7
[M+H-H2O]+ 262.99826 155.0
[M+HCOO]- 324.99920 169.0
[M+CH3COO]- 339.01485 196.8
[M+Na-2H]- 300.97567 161.1
[M]+ 280.00045 162.3
[M]- 280.00155 162.3
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.