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

11
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 238.1
[M+Na]+ 515.38595 235.3
[M-H]- 491.38945 237.5
[M+NH4]+ 510.43055 244.8
[M+K]+ 531.35989 228.3
[M+H-H2O]+ 475.39399 228.9
[M+HCOO]- 537.39493 249.7
[M+CH3COO]- 551.41058 246.8
[M+Na-2H]- 513.37140 225.8
[M]+ 492.39618 242.3
[M]- 492.39728 242.3
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.