CID 70241

Ethanethiol, 2-tetradecylamino-, hydrogen sulfate (ester)

Structural Information

Molecular Formula
C16H35NO3S2
SMILES
CCCCCCCCCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C16H35NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-21-22(18,19)20/h17H,2-16H2,1H3,(H,18,19,20)
InChIKey
FHYXHYXRWQFHHO-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethylamino)tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.20584 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21312 184.6
[M+Na]+ 376.19506 186.2
[M-H]- 352.19856 180.8
[M+NH4]+ 371.23966 197.0
[M+K]+ 392.16900 179.9
[M+H-H2O]+ 336.20310 177.1
[M+HCOO]- 398.20404 192.8
[M+CH3COO]- 412.21969 212.1
[M+Na-2H]- 374.18051 182.5
[M]+ 353.20529 191.5
[M]- 353.20639 191.5
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.