CID 90723

22059-34-3

Structural Information

Molecular Formula
C5H13N3O3S2
SMILES
CCNC(=NCCSS(=O)(=O)O)N
InChI
InChI=1S/C5H13N3O3S2/c1-2-7-5(6)8-3-4-12-13(9,10)11/h2-4H2,1H3,(H3,6,7,8)(H,9,10,11)
InChIKey
MZRMNCMJRSKSTF-UHFFFAOYSA-N
Compound name
1-[[amino(ethylamino)methylidene]amino]-2-sulfosulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03984 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04712 145.9
[M+Na]+ 250.02906 150.7
[M-H]- 226.03256 144.6
[M+NH4]+ 245.07366 162.5
[M+K]+ 266.00300 146.9
[M+H-H2O]+ 210.03710 139.0
[M+HCOO]- 272.03804 158.8
[M+CH3COO]- 286.05369 190.3
[M+Na-2H]- 248.01451 147.8
[M]+ 227.03929 146.2
[M]- 227.04039 146.2
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.