CID 12811203

4e,7z,10z-tridecatrienyl acetate

Structural Information

Molecular Formula
C15H24O2
SMILES
CC/C=C\C/C=C\C/C=C/CCCOC(=O)C
InChI
InChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h4-5,7-8,10-11H,3,6,9,12-14H2,1-2H3/b5-4-,8-7-,11-10+
InChIKey
WSXRBDKQLAZFRN-OZENSHFISA-N
Compound name
[(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

236.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 160.8
[M+Na]+ 259.16685 165.7
[M-H]- 235.17035 159.9
[M+NH4]+ 254.21145 178.9
[M+K]+ 275.14079 162.1
[M+H-H2O]+ 219.17489 155.1
[M+HCOO]- 281.17583 182.1
[M+CH3COO]- 295.19148 192.9
[M+Na-2H]- 257.15230 162.1
[M]+ 236.17708 164.8
[M]- 236.17818 164.8
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