CID 5282869

15(s)-hpede

Structural Information

Molecular Formula
C20H36O4
SMILES
CCCCC[C@@H](/C=C/C=C\CCCCCCCCCC(=O)O)OO
InChI
InChI=1S/C20H36O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h9,11,14,17,19,23H,2-8,10,12-13,15-16,18H2,1H3,(H,21,22)/b11-9-,17-14+/t19-/m0/s1
InChIKey
KEXNVBSLXJLOPR-XMSPSUPSSA-N
Compound name
(11Z,13E,15S)-15-hydroperoxyicosa-11,13-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

340.26135 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26863 191.7
[M+Na]+ 363.25057 192.7
[M-H]- 339.25407 186.7
[M+NH4]+ 358.29517 203.7
[M+K]+ 379.22451 188.1
[M+H-H2O]+ 323.25861 184.8
[M+HCOO]- 385.25955 207.4
[M+CH3COO]- 399.27520 209.5
[M+Na-2H]- 361.23602 188.0
[M]+ 340.26080 196.7
[M]- 340.26190 196.7
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

patents stripe