CID 11471126

8e,10z-pentadecadienyl acetate

Structural Information

Molecular Formula
C17H30O2
SMILES
CCCC/C=C\C=C\CCCCCCCOC(=O)C
InChI
InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h6-9H,3-5,10-16H2,1-2H3/b7-6-,9-8+
InChIKey
IXHOWPHRHRFHPB-NMMTYZSQSA-N
Compound name
[(8E,10Z)-pentadeca-8,10-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

266.22458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 171.5
[M+Na]+ 289.21380 175.1
[M-H]- 265.21730 170.1
[M+NH4]+ 284.25840 188.4
[M+K]+ 305.18774 171.6
[M+H-H2O]+ 249.22184 165.3
[M+HCOO]- 311.22278 191.9
[M+CH3COO]- 325.23843 200.5
[M+Na-2H]- 287.19925 171.6
[M]+ 266.22403 177.0
[M]- 266.22513 177.0
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