CID 3088943

Brn 5574165

Structural Information

Molecular Formula
C10H15NO4S2
SMILES
CCNCC(C1=CC(=CC=C1)O)SS(=O)(=O)O
InChI
InChI=1S/C10H15NO4S2/c1-2-11-7-10(16-17(13,14)15)8-4-3-5-9(12)6-8/h3-6,10-12H,2,7H2,1H3,(H,13,14,15)
InChIKey
OHSVSCINSKAEEK-UHFFFAOYSA-N
Compound name
1-[2-(ethylamino)-1-sulfosulfanylethyl]-3-hydroxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.04425 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05153 158.0
[M+Na]+ 300.03347 163.6
[M-H]- 276.03697 158.1
[M+NH4]+ 295.07807 172.5
[M+K]+ 316.00741 158.3
[M+H-H2O]+ 260.04151 151.8
[M+HCOO]- 322.04245 167.5
[M+CH3COO]- 336.05810 191.7
[M+Na-2H]- 298.01892 159.6
[M]+ 277.04370 159.9
[M]- 277.04480 159.9
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.