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 188.6
[M+Na]+ 390.21072 189.7
[M-H]- 366.21422 184.6
[M+NH4]+ 385.25532 200.4
[M+K]+ 406.18466 183.2
[M+H-H2O]+ 350.21876 180.9
[M+HCOO]- 412.21970 196.4
[M+CH3COO]- 426.23535 215.0
[M+Na-2H]- 388.19617 186.0
[M]+ 367.22095 195.8
[M]- 367.22205 195.8
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.