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]+ 267.19548 170.0
[M+Na]+ 289.17742 173.1
[M-H]- 265.18092 165.9
[M+NH4]+ 284.22202 185.1
[M+K]+ 305.15136 168.4
[M+H-H2O]+ 249.18546 164.3
[M+HCOO]- 311.18640 187.0
[M+CH3COO]- 325.20205 194.1
[M+Na-2H]- 287.16287 168.3
[M]+ 266.18765 171.2
[M]- 266.18875 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.