CID 30927

22059-42-3

Structural Information

Molecular Formula
C5H13N3O3S2
SMILES
C(CCSS(=O)(=O)O)CN=C(N)N
InChI
InChI=1S/C5H13N3O3S2/c6-5(7)8-3-1-2-4-12-13(9,10)11/h1-4H2,(H4,6,7,8)(H,9,10,11)
InChIKey
LJXVGZZEFUHOPD-UHFFFAOYSA-N
Compound name
1-(diaminomethylideneamino)-4-sulfosulfanylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03984 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04712 145.4
[M+Na]+ 250.02906 150.1
[M-H]- 226.03256 143.5
[M+NH4]+ 245.07366 161.7
[M+K]+ 266.00300 146.0
[M+H-H2O]+ 210.03710 138.5
[M+HCOO]- 272.03804 157.7
[M+CH3COO]- 286.05369 190.4
[M+Na-2H]- 248.01451 146.4
[M]+ 227.03929 144.8
[M]- 227.04039 144.8
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.