CID 5188690

209072-72-0

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

109
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 216.6
[M+Na]+ 493.25607 224.6
[M+NH4]+ 488.30067 220.9
[M+K]+ 509.23001 217.7
[M-H]- 469.25957 219.6
[M+Na-2H]- 491.24152 219.2
[M]+ 470.26630 218.1
[M]- 470.26740 218.1
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