CID 6441057

50767-79-8

Structural Information

Molecular Formula
C16H28O2
SMILES
CC/C=C/C=C\CCCCCCCCOC(=O)C
InChI
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6-
InChIKey
RFEQLTBBKNKGGJ-DEQVHDEQSA-N
Compound name
[(9Z,11E)-tetradeca-9,11-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

2622
Patents

252.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 166.7
[M+Na]+ 275.19814 175.2
[M+NH4]+ 270.24274 172.4
[M+K]+ 291.17208 167.4
[M-H]- 251.20164 165.0
[M+Na-2H]- 273.18359 167.6
[M]+ 252.20837 167.1
[M]- 252.20947 167.1
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