CID 70244

929-46-4

Structural Information

Molecular Formula
C19H41NO3S2
SMILES
CCCCCCCCCCCCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C19H41NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-24-25(21,22)23/h20H,2-19H2,1H3,(H,21,22,23)
InChIKey
NOAOISNWUKHGKB-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethylamino)heptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.25278 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.26006 198.4
[M+Na]+ 418.24200 202.2
[M+NH4]+ 413.28660 202.6
[M+K]+ 434.21594 192.1
[M-H]- 394.24550 195.7
[M+Na-2H]- 416.22745 196.2
[M]+ 395.25223 198.7
[M]- 395.25333 198.7
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.