CID 70245

929-47-5

Structural Information

Molecular Formula
C20H43NO3S2
SMILES
CCCCCCCCCCCCCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C20H43NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-25-26(22,23)24/h21H,2-20H2,1H3,(H,22,23,24)
InChIKey
ZPIZOEMTEYVDGD-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethylamino)octadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.26843 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.27571 200.2
[M+Na]+ 432.25765 200.1
[M-H]- 408.26115 195.7
[M+NH4]+ 427.30225 210.4
[M+K]+ 448.23159 192.9
[M+H-H2O]+ 392.26569 192.1
[M+HCOO]- 454.26663 207.2
[M+CH3COO]- 468.28228 223.6
[M+Na-2H]- 430.24310 196.5
[M]+ 409.26788 208.6
[M]- 409.26898 208.6
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.