CID 54144526

Dodecadien-1-yl acetate

Structural Information

Molecular Formula
C14H24O2
SMILES
CCCCCCCCC=CC=COC(=O)C
InChI
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h10-13H,3-9H2,1-2H3
InChIKey
ODKORGDBKBYLSR-UHFFFAOYSA-N
Compound name
dodeca-1,3-dienyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

164
Patents

224.17763 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 157.8
[M+Na]+ 247.166848 162.7
[M-H]- 223.170354 157.0
[M+NH4]+ 242.211453 176.4
[M+K]+ 263.140788 160.0
[M+H-H2O]+ 207.174890 152.2
[M+HCOO]- 269.175831 179.2
[M+CH3COO]- 283.191481 191.4
[M+Na-2H]- 245.152296 159.5
[M]+ 224.17708142 162.2
[M]- 224.17817858 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