CID 28730

17753-05-8

Structural Information

Molecular Formula
C18H20O6
SMILES
CC1=CC=CC=C1OCC(COC(=O)COC2=CC=CC=C2O)O
InChI
InChI=1S/C18H20O6/c1-13-6-2-4-8-16(13)22-10-14(19)11-24-18(21)12-23-17-9-5-3-7-15(17)20/h2-9,14,19-20H,10-12H2,1H3
InChIKey
GQMHTLIBJICFID-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methylphenoxy)propyl] 2-(2-hydroxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12598 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13326 176.1
[M+Na]+ 355.11520 180.9
[M-H]- 331.11870 179.8
[M+NH4]+ 350.15980 187.9
[M+K]+ 371.08914 178.8
[M+H-H2O]+ 315.12324 167.8
[M+HCOO]- 377.12418 195.5
[M+CH3COO]- 391.13983 204.1
[M+Na-2H]- 353.10065 177.5
[M]+ 332.12543 180.2
[M]- 332.12653 180.2
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

No patent data available for this compound.