CID 12888605

11-methyl-9z,12-tridecadienyl acetate

Structural Information

Molecular Formula
C16H28O2
SMILES
CC(C=C)/C=C\CCCCCCCCOC(=O)C
InChI
InChI=1S/C16H28O2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-18-16(3)17/h4,11,13,15H,1,5-10,12,14H2,2-3H3/b13-11-
InChIKey
ASUUBOCEHJFFRV-QBFSEMIESA-N
Compound name
[(9Z)-11-methyltrideca-9,12-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

252.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 167.2
[M+Na]+ 275.198138 171.0
[M-H]- 251.201644 166.0
[M+NH4]+ 270.242743 184.5
[M+K]+ 291.172078 168.1
[M+H-H2O]+ 235.206180 161.2
[M+HCOO]- 297.207121 186.9
[M+CH3COO]- 311.222771 198.9
[M+Na-2H]- 273.183586 166.6
[M]+ 252.20837142 171.7
[M]- 252.20946858 171.7
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