CID 302470

13338-57-3

Structural Information

Molecular Formula
C9H13N3O3S2
SMILES
C1=CC=NC(=C1)CCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C9H13N3O3S2/c10-9(7-16-17(13,14)15)12-6-4-8-3-1-2-5-11-8/h1-3,5H,4,6-7H2,(H2,10,12)(H,13,14,15)
InChIKey
XXTBHKMOKAFXDH-UHFFFAOYSA-N
Compound name
2-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.03983 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04711 157.8
[M+Na]+ 298.02905 163.8
[M-H]- 274.03255 158.6
[M+NH4]+ 293.07365 171.7
[M+K]+ 314.00299 158.6
[M+H-H2O]+ 258.03709 150.2
[M+HCOO]- 320.03803 169.7
[M+CH3COO]- 334.05368 195.8
[M+Na-2H]- 296.01450 160.6
[M]+ 275.03928 159.0
[M]- 275.04038 159.0
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.