CID 13245319

3e,5e-tetradecadienyl acetate

Structural Information

Molecular Formula
C16H28O2
SMILES
CCCCCCCC/C=C/C=C/CCOC(=O)C
InChI
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h10-13H,3-9,14-15H2,1-2H3/b11-10+,13-12+
InChIKey
XXIIMWWMOJXDLK-AQASXUMVSA-N
Compound name
[(3E,5E)-tetradeca-3,5-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

252.20892 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 167.0
[M+Na]+ 275.19814 171.0
[M-H]- 251.20164 165.7
[M+NH4]+ 270.24274 184.4
[M+K]+ 291.17208 167.8
[M+H-H2O]+ 235.20618 160.9
[M+HCOO]- 297.20712 187.7
[M+CH3COO]- 311.22277 197.5
[M+Na-2H]- 273.18359 167.6
[M]+ 252.20837 172.1
[M]- 252.20947 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe