CID 6455052

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

Structural Information

Molecular Formula
C18H34O4S
SMILES
CCCCCCCCCCCCCC/C=C/C=C/OS(=O)(=O)O
InChI
InChI=1S/C18H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h15-18H,2-14H2,1H3,(H,19,20,21)/b16-15+,18-17+
InChIKey
YVQGIEJPLKZNLH-GKIXDJALSA-N
Compound name
[(1E,3E)-octadeca-1,3-dienyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

346.21777 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.225046 187.4
[M+Na]+ 369.206988 190.4
[M-H]- 345.210494 184.3
[M+NH4]+ 364.251593 200.6
[M+K]+ 385.180928 184.8
[M+H-H2O]+ 329.215030 180.8
[M+HCOO]- 391.215971 200.6
[M+CH3COO]- 405.231621 207.8
[M+Na-2H]- 367.192436 185.7
[M]+ 346.21722142 195.6
[M]- 346.21831858 195.6
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.