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 191.6
[M-H]- 339.23295 190.8
[M+NH4]+ 358.27405 202.4
[M+K]+ 379.20339 186.8
[M+H-H2O]+ 323.23749 182.0
[M+HCOO]- 385.23843 205.8
[M+CH3COO]- 399.25408 214.7
[M+Na-2H]- 361.21490 187.1
[M]+ 340.23968 191.7
[M]- 340.24078 191.7
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

No patent data available for this compound.