CID 5365606

(z)-dodeca-9,11-dienyl acetate

Structural Information

Molecular Formula
C14H24O2
SMILES
CC(=O)OCCCCCCCC/C=C\C=C
InChI
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-5H,1,6-13H2,2H3/b5-4-
InChIKey
ARPQLVHCERGNAB-PLNGDYQASA-N
Compound name
[(9Z)-dodeca-9,11-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

224.17763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 157.6
[M+Na]+ 247.16685 162.4
[M-H]- 223.17035 156.7
[M+NH4]+ 242.21145 176.1
[M+K]+ 263.14079 159.7
[M+H-H2O]+ 207.17489 151.9
[M+HCOO]- 269.17583 179.0
[M+CH3COO]- 283.19148 192.1
[M+Na-2H]- 245.15230 159.3
[M]+ 224.17708 162.0
[M]- 224.17818 162.0
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