CID 37513

3,5-diamino-1,2-dithiolium chloride

Structural Information

Molecular Formula
C3H4N2S2
SMILES
C1=C(SSC1=N)N
InChI
InChI=1S/C3H4N2S2/c4-2-1-3(5)7-6-2/h1,4H,5H2
InChIKey
LRMJANOUFKNBQQ-UHFFFAOYSA-N
Compound name
5-iminodithiol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.9816 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.98888 119.5
[M+Na]+ 154.97082 129.4
[M-H]- 130.97432 123.3
[M+NH4]+ 150.01542 143.1
[M+K]+ 170.94476 125.3
[M+H-H2O]+ 114.97886 114.3
[M+HCOO]- 176.97980 136.6
[M+CH3COO]- 190.99545 171.6
[M+Na-2H]- 152.95627 121.6
[M]+ 131.98105 118.2
[M]- 131.98215 118.2
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.