CID 106792

67785-71-1

Structural Information

Molecular Formula
C34H52O2
SMILES
CCCCCC(=CC1=CC=CC=C1)C(OC(C)(CCC=C(C)C)C=C)OC(C)(CCC=C(C)C)C=C
InChI
InChI=1S/C34H52O2/c1-10-13-15-24-31(27-30-22-16-14-17-23-30)32(35-33(8,11-2)25-18-20-28(4)5)36-34(9,12-3)26-19-21-29(6)7/h11-12,14,16-17,20-23,27,32H,2-3,10,13,15,18-19,24-26H2,1,4-9H3
InChIKey
HIPTUWNAJGCQAY-UHFFFAOYSA-N
Compound name
2-[bis(3,7-dimethylocta-1,6-dien-3-yloxy)methyl]hept-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.39673 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.40401 233.1
[M+Na]+ 515.38595 231.4
[M-H]- 491.38945 233.0
[M+NH4]+ 510.43055 216.5
[M+K]+ 531.35989 224.6
[M+H-H2O]+ 475.39399 225.0
[M+HCOO]- 537.39493 220.6
[M+CH3COO]- 551.41058 247.2
[M+Na-2H]- 513.37140 225.7
[M]+ 492.39618 237.9
[M]- 492.39728 237.9
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.