CID 210284

Brn 3058340

Structural Information

Molecular Formula
C14H29NO3S2
SMILES
C1CCC(C1)CCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C14H29NO3S2/c16-20(17,18)19-13-12-15-11-7-3-1-2-4-8-14-9-5-6-10-14/h14-15H,1-13H2,(H,16,17,18)
InChIKey
AUYGGAVPNCGUSB-UHFFFAOYSA-N
Compound name
7-(2-sulfosulfanylethylamino)heptylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15887 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16615 176.6
[M+Na]+ 346.14809 180.6
[M+NH4]+ 341.19269 182.5
[M+K]+ 362.12203 173.5
[M-H]- 322.15159 175.7
[M+Na-2H]- 344.13354 176.2
[M]+ 323.15832 177.4
[M]- 323.15942 177.4
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.