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 196.4
[M+Na]+ 418.24200 196.7
[M-H]- 394.24550 192.0
[M+NH4]+ 413.28660 207.0
[M+K]+ 434.21594 189.7
[M+H-H2O]+ 378.25004 188.4
[M+HCOO]- 440.25098 203.6
[M+CH3COO]- 454.26663 220.7
[M+Na-2H]- 416.22745 193.1
[M]+ 395.25223 204.3
[M]- 395.25333 204.3
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.