CID 44256556

11z,14e-hexadecadienyl acetate

Structural Information

Molecular Formula
C18H32O2
SMILES
C/C=C/C/C=C\CCCCCCCCCCOC(=O)C
InChI
InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-4,6-7H,5,8-17H2,1-2H3/b4-3+,7-6-
InChIKey
OYQWHVSOWXQMIM-FDTUMDBZSA-N
Compound name
[(11Z,14E)-hexadeca-11,14-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

280.24023 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.24751 176.1
[M+Na]+ 303.22945 179.2
[M-H]- 279.23295 174.4
[M+NH4]+ 298.27405 192.3
[M+K]+ 319.20339 175.5
[M+H-H2O]+ 263.23749 169.6
[M+HCOO]- 325.23843 196.1
[M+CH3COO]- 339.25408 203.5
[M+Na-2H]- 301.21490 175.6
[M]+ 280.23968 181.9
[M]- 280.24078 181.9
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

patents stripe