CID 171120964

Persenone c

Structural Information

Molecular Formula
C21H36O4
SMILES
CC/C=C/CCCCCCCCC/C=C/C(=O)C[C@@H](COC(=O)C)O
InChI
InChI=1S/C21H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)17-21(24)18-25-19(2)22/h4-5,15-16,21,24H,3,6-14,17-18H2,1-2H3/b5-4+,16-15+/t21-/m0/s1
InChIKey
MYFQKXPELFRJRW-ABOKRIGSSA-N
Compound name
[(2S,5E,16E)-2-hydroxy-4-oxononadeca-5,16-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.26135 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.268626 194.8
[M+Na]+ 375.250568 196.0
[M-H]- 351.254074 191.2
[M+NH4]+ 370.295173 207.0
[M+K]+ 391.224508 192.0
[M+H-H2O]+ 335.258610 187.9
[M+HCOO]- 397.259551 211.0
[M+CH3COO]- 411.275201 214.3
[M+Na-2H]- 373.236016 189.9
[M]+ 352.26080142 200.7
[M]- 352.26189858 200.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.