CID 5188690

Bis((4-((vinyloxy)methyl)cyclohexyl)methyl) terephthalate

Structural Information

Molecular Formula
C28H38O6
SMILES
C=COCC1CCC(CC1)COC(=O)C2=CC=C(C=C2)C(=O)OCC3CCC(CC3)COC=C
InChI
InChI=1S/C28H38O6/c1-3-31-17-21-5-9-23(10-6-21)19-33-27(29)25-13-15-26(16-14-25)28(30)34-20-24-11-7-22(8-12-24)18-32-4-2/h3-4,13-16,21-24H,1-2,5-12,17-20H2
InChIKey
UXMIQRKJEOXQPO-UHFFFAOYSA-N
Compound name
bis[[4-(ethenoxymethyl)cyclohexyl]methyl] benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

470.26685 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.27413 216.5
[M+Na]+ 493.25607 214.6
[M-H]- 469.25957 222.5
[M+NH4]+ 488.30067 222.9
[M+K]+ 509.23001 211.0
[M+H-H2O]+ 453.26411 205.7
[M+HCOO]- 515.26505 228.5
[M+CH3COO]- 529.28070 235.2
[M+Na-2H]- 491.24152 209.8
[M]+ 470.26630 214.5
[M]- 470.26740 214.5
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