CID 218151

40283-54-3

Structural Information

Molecular Formula
C8H16N2O3S2
SMILES
C1CCC(C1)CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C8H16N2O3S2/c9-8(6-14-15(11,12)13)10-5-7-3-1-2-4-7/h7H,1-6H2,(H2,9,10)(H,11,12,13)
InChIKey
JANNQSLLUJUMEN-UHFFFAOYSA-N
Compound name
[(1-amino-2-sulfosulfanylethylidene)amino]methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06024 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06752 155.5
[M+Na]+ 275.04946 159.3
[M+NH4]+ 270.09406 161.6
[M+K]+ 291.02340 154.6
[M-H]- 251.05296 154.8
[M+Na-2H]- 273.03491 155.9
[M]+ 252.05969 156.1
[M]- 252.06079 156.1
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.