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 180.0
[M+Na]+ 343.19134 183.4
[M-H]- 319.19484 177.1
[M+NH4]+ 338.23594 194.2
[M+K]+ 359.16528 178.9
[M+H-H2O]+ 303.19938 173.5
[M+HCOO]- 365.20032 193.6
[M+CH3COO]- 379.21597 203.4
[M+Na-2H]- 341.17679 179.1
[M]+ 320.20157 188.2
[M]- 320.20267 188.2
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.