CID 16205561

1,5,9-trimethyl-1-vinyldeca-4,8-dienyl phenylacetate

Structural Information

Molecular Formula
C23H32O2
SMILES
CC(=CCC/C(=C/CCC(C)(C=C)OC(=O)CC1=CC=CC=C1)/C)C
InChI
InChI=1S/C23H32O2/c1-6-23(5,17-11-14-20(4)13-10-12-19(2)3)25-22(24)18-21-15-8-7-9-16-21/h6-9,12,14-16H,1,10-11,13,17-18H2,2-5H3/b20-14+
InChIKey
FHYSZDJZDKDKIJ-XSFVSMFZSA-N
Compound name
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.24023 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.24751 189.1
[M+Na]+ 363.22945 198.1
[M+NH4]+ 358.27405 194.2
[M+K]+ 379.20339 191.2
[M-H]- 339.23295 188.7
[M+Na-2H]- 361.21490 191.8
[M]+ 340.23968 190.0
[M]- 340.24078 190.0
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.