CID 3020316

85050-10-8

Structural Information

Molecular Formula
C29H44O2
SMILES
CC(=CCCC(C)(C=C)OC(CCC1=CC=CC=C1)OC(C)(CCC=C(C)C)C=C)C
InChI
InChI=1S/C29H44O2/c1-9-28(7,22-14-16-24(3)4)30-27(21-20-26-18-12-11-13-19-26)31-29(8,10-2)23-15-17-25(5)6/h9-13,16-19,27H,1-2,14-15,20-23H2,3-8H3
InChIKey
AKQBPDWFCDLKKL-UHFFFAOYSA-N
Compound name
3,3-bis(3,7-dimethylocta-1,6-dien-3-yloxy)propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.33414 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.341416 213.6
[M+Na]+ 447.323358 214.0
[M-H]- 423.326864 214.4
[M+NH4]+ 442.367963 223.5
[M+K]+ 463.297298 208.3
[M+H-H2O]+ 407.331400 206.1
[M+HCOO]- 469.332341 226.7
[M+CH3COO]- 483.347991 233.4
[M+Na-2H]- 445.308806 209.7
[M]+ 424.33359142 218.0
[M]- 424.33468858 218.0
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.