CID 3024002

2,6,10-trimethylundeca-1,9-dien-4-yl acetate

Structural Information

Molecular Formula
C16H28O2
SMILES
CC(CCC=C(C)C)CC(CC(=C)C)OC(=O)C
InChI
InChI=1S/C16H28O2/c1-12(2)8-7-9-14(5)11-16(10-13(3)4)18-15(6)17/h8,14,16H,3,7,9-11H2,1-2,4-6H3
InChIKey
CORWEQVTDUHIDS-UHFFFAOYSA-N
Compound name
2,6,10-trimethylundeca-1,9-dien-4-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.20892 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 166.7
[M+Na]+ 275.198138 169.9
[M-H]- 251.201644 165.8
[M+NH4]+ 270.242743 183.8
[M+K]+ 291.172078 168.5
[M+H-H2O]+ 235.206180 161.2
[M+HCOO]- 297.207121 183.5
[M+CH3COO]- 311.222771 201.5
[M+Na-2H]- 273.183586 162.4
[M]+ 252.20837142 169.3
[M]- 252.20946858 169.3
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

No patent data available for this compound.