CID 15730832

Refchem:1093125

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
3
Annotation Hits

0
References

23
Patents

266.1882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.195476 170.0
[M+Na]+ 289.177418 173.1
[M-H]- 265.180924 165.9
[M+NH4]+ 284.222023 185.1
[M+K]+ 305.151358 168.4
[M+H-H2O]+ 249.185460 164.3
[M+HCOO]- 311.186401 187.0
[M+CH3COO]- 325.202051 194.1
[M+Na-2H]- 287.162866 168.3
[M]+ 266.18765142 171.2
[M]- 266.18874858 171.2
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