CID 30753

21679-18-5

Structural Information

Molecular Formula
C6H15NO3S2
SMILES
C(CCCSS(=O)(=O)O)CCN
InChI
InChI=1S/C6H15NO3S2/c7-5-3-1-2-4-6-11-12(8,9)10/h1-7H2,(H,8,9,10)
InChIKey
FVAITYGYNLHBDF-UHFFFAOYSA-N
Compound name
1-amino-6-sulfosulfanylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

213.04933 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05661 144.3
[M+Na]+ 236.03855 150.2
[M-H]- 212.04205 141.9
[M+NH4]+ 231.08315 161.9
[M+K]+ 252.01249 145.8
[M+H-H2O]+ 196.04659 138.6
[M+HCOO]- 258.04753 154.8
[M+CH3COO]- 272.06318 182.1
[M+Na-2H]- 234.02400 145.2
[M]+ 213.04878 146.5
[M]- 213.04988 146.5
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

patents stripe