CID 6437976

Einecs 264-934-2

Structural Information

Molecular Formula
C16H30O4S
SMILES
C=CCCCCCCCCCCCC/C=C/OS(=O)(=O)O
InChI
InChI=1S/C16H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2,15-16H,1,3-14H2,(H,17,18,19)/b16-15+
InChIKey
PMRXNLOUVWVIII-FOCLMDBBSA-N
Compound name
[(1E)-hexadeca-1,15-dienyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1865 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19378 180.6
[M+Na]+ 341.17572 186.8
[M+NH4]+ 336.22032 184.6
[M+K]+ 357.14966 178.7
[M-H]- 317.17922 176.7
[M+Na-2H]- 339.16117 179.2
[M]+ 318.18595 180.4
[M]- 318.18705 180.4
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.