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 155.8
[M+Na]+ 275.04946 160.3
[M-H]- 251.05296 157.4
[M+NH4]+ 270.09406 173.7
[M+K]+ 291.02340 156.6
[M+H-H2O]+ 235.05750 149.7
[M+HCOO]- 297.05844 167.0
[M+CH3COO]- 311.07409 191.0
[M+Na-2H]- 273.03491 155.3
[M]+ 252.05969 154.6
[M]- 252.06079 154.6
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.