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

421
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 226.9
[M+Na]+ 517.31356 227.1
[M-H]- 493.31706 226.7
[M+NH4]+ 512.35816 226.0
[M+K]+ 533.28750 226.0
[M+H-H2O]+ 477.32160 218.2
[M+HCOO]- 539.32254 224.8
[M+CH3COO]- 553.33819 244.0
[M+Na-2H]- 515.29901 217.2
[M]+ 494.32379 238.3
[M]- 494.32489 238.3
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