CID 210291

Brn 3059887

Structural Information

Molecular Formula
C15H31NO3S2
SMILES
C1CCC(C1)CCCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C15H31NO3S2/c17-21(18,19)20-14-13-16-12-8-4-2-1-3-5-9-15-10-6-7-11-15/h15-16H,1-14H2,(H,17,18,19)
InChIKey
NXVFZGHFKDAOFL-UHFFFAOYSA-N
Compound name
8-(2-sulfosulfanylethylamino)octylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18181 180.6
[M+Na]+ 360.16375 184.4
[M+NH4]+ 355.20835 186.3
[M+K]+ 376.13769 177.1
[M-H]- 336.16725 179.6
[M+Na-2H]- 358.14920 180.0
[M]+ 337.17398 181.3
[M]- 337.17508 181.3
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.