CID 70242

929-44-2

Structural Information

Molecular Formula
C17H37NO3S2
SMILES
CCCCCCCCCCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C17H37NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-22-23(19,20)21/h18H,2-17H2,1H3,(H,19,20,21)
InChIKey
KUDPDOZAPFSKPG-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethylamino)pentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.2215 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22878 190.6
[M+Na]+ 390.21072 194.7
[M+NH4]+ 385.25532 195.1
[M+K]+ 406.18466 185.0
[M-H]- 366.21422 188.0
[M+Na-2H]- 388.19617 188.7
[M]+ 367.22095 190.9
[M]- 367.22205 190.9
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.