CID 1747818

(8e,10e)-dodeca-8,10-dienyl acetate

Structural Information

Molecular Formula
C14H24O2
SMILES
C/C=C/C=C/CCCCCCCOC(=O)C
InChI
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-6H,7-13H2,1-2H3/b4-3+,6-5+
InChIKey
NTKDSWPSEFZZOZ-VNKDHWASSA-N
Compound name
[(8E,10E)-dodeca-8,10-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

721
Patents

224.17763 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 157.8
[M+Na]+ 247.16685 162.7
[M-H]- 223.17035 157.0
[M+NH4]+ 242.21145 176.4
[M+K]+ 263.14079 160.0
[M+H-H2O]+ 207.17489 152.2
[M+HCOO]- 269.17583 179.2
[M+CH3COO]- 283.19148 191.4
[M+Na-2H]- 245.15230 159.5
[M]+ 224.17708 162.2
[M]- 224.17818 162.2
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