CID 105590

[2-[bis[(3,7-dimethyl-2,6-octadienyl)oxy]methyl]-1-heptenyl]benzene

Structural Information

Molecular Formula
C34H52O2
SMILES
CCCCCC(=CC1=CC=CC=C1)C(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C
InChI
InChI=1S/C34H52O2/c1-8-9-11-22-33(27-32-20-12-10-13-21-32)34(35-25-23-30(6)18-14-16-28(2)3)36-26-24-31(7)19-15-17-29(4)5/h10,12-13,16-17,20-21,23-24,27,34H,8-9,11,14-15,18-19,22,25-26H2,1-7H3
InChIKey
OAUIRXVDLGQWKJ-UHFFFAOYSA-N
Compound name
2-[bis(3,7-dimethylocta-2,6-dienoxy)methyl]hept-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

492.39673 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.40401 234.6
[M+Na]+ 515.38595 240.7
[M+NH4]+ 510.43055 231.8
[M+K]+ 531.35989 232.4
[M-H]- 491.38945 233.5
[M+Na-2H]- 513.37140 233.5
[M]+ 492.39618 234.7
[M]- 492.39728 234.7
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.