CID 6438060

Hexadecenyl sulfate (1:1), 2-(diethylamino)ethanol salt

Structural Information

Molecular Formula
C16H32O4S
SMILES
CCCCCCCCCCCCCC/C=C/OS(=O)(=O)O
InChI
InChI=1S/C16H32O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h15-16H,2-14H2,1H3,(H,17,18,19)/b16-15+
InChIKey
NENMNIICDYLEFS-FOCLMDBBSA-N
Compound name
[(E)-hexadec-1-enyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

320.20212 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20940 181.2
[M+Na]+ 343.19134 187.3
[M+NH4]+ 338.23594 185.4
[M+K]+ 359.16528 179.3
[M-H]- 319.19484 177.5
[M+Na-2H]- 341.17679 179.9
[M]+ 320.20157 181.0
[M]- 320.20267 181.0
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.