CID 102510

924-19-6

Structural Information

Molecular Formula
C10H23NO3S2
SMILES
CCCCCC(CC)NCCSS(=O)(=O)O
InChI
InChI=1S/C10H23NO3S2/c1-3-5-6-7-10(4-2)11-8-9-15-16(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)
InChIKey
XEMDFXJDJFUOFL-UHFFFAOYSA-N
Compound name
3-(2-sulfosulfanylethylamino)octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11194 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11922 161.1
[M+Na]+ 292.10116 164.9
[M-H]- 268.10466 158.5
[M+NH4]+ 287.14576 176.6
[M+K]+ 308.07510 160.5
[M+H-H2O]+ 252.10920 154.7
[M+HCOO]- 314.11014 169.9
[M+CH3COO]- 328.12579 195.3
[M+Na-2H]- 290.08661 160.3
[M]+ 269.11139 165.1
[M]- 269.11249 165.1
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.