CID 131839782

5-acetoxy-tetradeca-2e,4e,6e-trienoic acid

Structural Information

Molecular Formula
C16H24O4
SMILES
CCCCCCC/C=C/C(=C/C=C/C(=O)O)/OC(=O)C
InChI
InChI=1S/C16H24O4/c1-3-4-5-6-7-8-9-11-15(20-14(2)17)12-10-13-16(18)19/h9-13H,3-8H2,1-2H3,(H,18,19)/b11-9+,13-10+,15-12-
InChIKey
YQFHNRBXJBNOLE-HBCXVKFPSA-N
Compound name
(2E,4Z,6E)-5-acetyloxytetradeca-2,4,6-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16745 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 170.6
[M+Na]+ 303.15667 174.3
[M-H]- 279.16017 168.1
[M+NH4]+ 298.20127 185.8
[M+K]+ 319.13061 170.9
[M+H-H2O]+ 263.16471 164.8
[M+HCOO]- 325.16565 188.7
[M+CH3COO]- 339.18130 198.0
[M+Na-2H]- 301.14212 168.4
[M]+ 280.16690 173.9
[M]- 280.16800 173.9
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

No patent data available for this compound.