CID 44659

63732-25-2

Structural Information

Molecular Formula
C5H13N3O3S2
SMILES
CCC(C)(N=C(N)N)SS(=O)(=O)O
InChI
InChI=1S/C5H13N3O3S2/c1-3-5(2,8-4(6)7)12-13(9,10)11/h3H2,1-2H3,(H4,6,7,8)(H,9,10,11)
InChIKey
HWNQQXXZOQECES-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)-2-sulfosulfanylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03984 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04712 146.9
[M+Na]+ 250.02906 151.8
[M-H]- 226.03256 145.2
[M+NH4]+ 245.07366 163.2
[M+K]+ 266.00300 148.2
[M+H-H2O]+ 210.03710 140.5
[M+HCOO]- 272.03804 157.7
[M+CH3COO]- 286.05369 190.8
[M+Na-2H]- 248.01451 148.9
[M]+ 227.03929 145.7
[M]- 227.04039 145.7
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.