CID 14008331

Benzene, 1,4-bis(decyloxy)-2,5-dimethoxy-

Structural Information

Molecular Formula
C28H50O4
SMILES
CCCCCCCCCCOC1=CC(=C(C=C1OC)OCCCCCCCCCC)OC
InChI
InChI=1S/C28H50O4/c1-5-7-9-11-13-15-17-19-21-31-27-23-26(30-4)28(24-25(27)29-3)32-22-20-18-16-14-12-10-8-6-2/h23-24H,5-22H2,1-4H3
InChIKey
PEQDMANJHPVKCY-UHFFFAOYSA-N
Compound name
1,4-didecoxy-2,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

118
Patents

450.3709 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.37818 221.5
[M+Na]+ 473.36012 223.1
[M-H]- 449.36362 222.3
[M+NH4]+ 468.40472 231.1
[M+K]+ 489.33406 218.9
[M+H-H2O]+ 433.36816 211.9
[M+HCOO]- 495.36910 240.3
[M+CH3COO]- 509.38475 239.1
[M+Na-2H]- 471.34557 217.5
[M]+ 450.37035 235.2
[M]- 450.37145 235.2
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

patents stripe