CID 6436633

31654-77-0

Structural Information

Molecular Formula
C16H28O2
SMILES
C/C=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/h3-4,6-7H,5,8-15H2,1-2H3/b4-3-,7-6+
InChIKey
ZZGJZGSVLNSDPG-WWVFNRLHSA-N
Compound name
[(9E,12Z)-tetradeca-9,12-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

3447
Patents

252.20892 Da
Monoisotopic Mass

5.3
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