CID 9834662

3e-tridecenyl acetate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCCCC/C=C/CCOC(=O)C
InChI
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h11-12H,3-10,13-14H2,1-2H3/b12-11+
InChIKey
WAXZBUKVAXZYOV-VAWYXSNFSA-N
Compound name
[(E)-tridec-3-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

240.20892 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 164.0
[M+Na]+ 263.198138 168.0
[M-H]- 239.201644 162.8
[M+NH4]+ 258.242743 181.9
[M+K]+ 279.172078 165.7
[M+H-H2O]+ 223.206180 158.0
[M+HCOO]- 285.207121 184.8
[M+CH3COO]- 299.222771 196.0
[M+Na-2H]- 261.183586 165.1
[M]+ 240.20837142 169.5
[M]- 240.20946858 169.5
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