CID 6436996

Einecs 265-769-9

Structural Information

Molecular Formula
C30H51BO3
SMILES
B(OC/C=C(\CCC=C(C)C)/C)(OC/C=C(\CCC=C(C)C)/C)OC/C=C(/CCC=C(C)C)\C
InChI
InChI=1S/C30H51BO3/c1-25(2)13-10-16-28(7)19-22-32-31(33-23-20-29(8)17-11-14-26(3)4)34-24-21-30(9)18-12-15-27(5)6/h13-15,19-21H,10-12,16-18,22-24H2,1-9H3/b28-19-,29-20-,30-21+
InChIKey
PKMAPPRYHGGQHW-VNORTNIJSA-N
Compound name
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] [(2E)-3,7-dimethylocta-2,6-dienyl] borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.39313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.40041 222.9
[M+Na]+ 493.38235 234.8
[M-H]- 469.38585 219.2
[M+NH4]+ 488.42695 233.6
[M+K]+ 509.35629 234.7
[M+H-H2O]+ 453.39039 227.1
[M+HCOO]- 515.39133 222.5
[M+CH3COO]- 529.40698 243.0
[M+Na-2H]- 491.36780 215.3
[M]+ 470.39258 223.7
[M]- 470.39368 223.7
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.