CID 70240

929-41-9

Structural Information

Molecular Formula
C15H33NO3S2
SMILES
CCCCCCCCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C15H33NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-20-21(17,18)19/h16H,2-15H2,1H3,(H,17,18,19)
InChIKey
MDCFFJPIOHVMNO-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethylamino)tridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19748 180.7
[M+Na]+ 362.17942 182.7
[M-H]- 338.18292 177.1
[M+NH4]+ 357.22402 193.6
[M+K]+ 378.15336 176.6
[M+H-H2O]+ 322.18746 173.4
[M+HCOO]- 384.18840 189.1
[M+CH3COO]- 398.20405 209.2
[M+Na-2H]- 360.16487 178.9
[M]+ 339.18965 187.2
[M]- 339.19075 187.2
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.