CID 11961068

Ronacare ap

Structural Information

Molecular Formula
C28H46O7
SMILES
CCCCC(CC)COC(=O)C(CC1=CC(=C(C(=C1)OC)O)OC)C(=O)OCC(CC)CCCC
InChI
InChI=1S/C28H46O7/c1-7-11-13-20(9-3)18-34-27(30)23(28(31)35-19-21(10-4)14-12-8-2)15-22-16-24(32-5)26(29)25(17-22)33-6/h16-17,20-21,23,29H,7-15,18-19H2,1-6H3
InChIKey
QHQPFWCUOFWVKE-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) 2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

415
Patents

494.32434 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.33162 223.8
[M+Na]+ 517.31356 229.3
[M+NH4]+ 512.35816 237.5
[M+K]+ 533.28750 233.2
[M-H]- 493.31706 227.6
[M+Na-2H]- 515.29901 221.5
[M]+ 494.32379 223.2
[M]- 494.32489 223.2
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