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

99
Patents

470.26685 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.274126 216.5
[M+Na]+ 493.256068 214.6
[M-H]- 469.259574 222.5
[M+NH4]+ 488.300673 222.9
[M+K]+ 509.230008 211.0
[M+H-H2O]+ 453.264110 205.7
[M+HCOO]- 515.265051 228.5
[M+CH3COO]- 529.280701 235.2
[M+Na-2H]- 491.241516 209.8
[M]+ 470.26630142 214.5
[M]- 470.26739858 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