CID 3017291

61810-56-8

Structural Information

Molecular Formula
C15H24O2
SMILES
CCC=CCC=CCC=CCCCOC(=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
InChIKey
WSXRBDKQLAZFRN-UHFFFAOYSA-N
Compound name
trideca-4,7,10-trienyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

236.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 160.8
[M+Na]+ 259.166848 165.7
[M-H]- 235.170354 159.9
[M+NH4]+ 254.211453 178.9
[M+K]+ 275.140788 162.1
[M+H-H2O]+ 219.174890 155.1
[M+HCOO]- 281.175831 182.1
[M+CH3COO]- 295.191481 192.9
[M+Na-2H]- 257.152296 162.1
[M]+ 236.17708142 164.8
[M]- 236.17817858 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