CID 15730832

Tetranor-12(s)-hete

Structural Information

Molecular Formula
C16H26O3
SMILES
CCCCC/C=C\C[C@@H](/C=C/C=C\CCC(=O)O)O
InChI
InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-10,13,15,17H,2-5,11-12,14H2,1H3,(H,18,19)/b8-7-,9-6-,13-10+/t15-/m0/s1
InChIKey
KBOVKDIBOBQLRS-ONCCEEIJSA-N
Compound name
(4Z,6E,8S,10Z)-8-hydroxyhexadeca-4,6,10-trienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

266.1882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19548 169.9
[M+Na]+ 289.17742 176.5
[M+NH4]+ 284.22202 173.8
[M+K]+ 305.15136 170.6
[M-H]- 265.18092 166.0
[M+Na-2H]- 287.16287 168.6
[M]+ 266.18765 169.1
[M]- 266.18875 169.1
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

patents stripe