CID 3885873

123440-34-6

Structural Information

Molecular Formula
C24H38O4
SMILES
CCCCCCCCOC1=CC(=C(C=C1C=O)OCCCCCCCC)C=O
InChI
InChI=1S/C24H38O4/c1-3-5-7-9-11-13-15-27-23-17-22(20-26)24(18-21(23)19-25)28-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKey
HBPJKNOOUOGSOG-UHFFFAOYSA-N
Compound name
2,5-dioctoxyterephthalaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

390.277 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28428 200.9
[M+Na]+ 413.26622 211.1
[M+NH4]+ 408.31082 205.7
[M+K]+ 429.24016 202.0
[M-H]- 389.26972 201.3
[M+Na-2H]- 411.25167 203.0
[M]+ 390.27645 202.3
[M]- 390.27755 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe