CID 92034529

(6z,9s,10e,12z)-9-hydroxyhexadeca-6,10,12-trienoic acid

Structural Information

Molecular Formula
C16H26O3
SMILES
CCC/C=C\C=C\[C@H](C/C=C\CCCCC(=O)O)O
InChI
InChI=1S/C16H26O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h4,6-7,9-10,12,15,17H,2-3,5,8,11,13-14H2,1H3,(H,18,19)/b6-4-,10-7-,12-9+/t15-/m1/s1
InChIKey
UNKABLLGTHOOAP-FJQSMFNXSA-N
Compound name
(6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

3.7
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

No patent data available for this compound.