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]+ 333.133256 176.1
[M+Na]+ 355.115198 180.9
[M-H]- 331.118704 179.8
[M+NH4]+ 350.159803 187.9
[M+K]+ 371.089138 178.8
[M+H-H2O]+ 315.123240 167.8
[M+HCOO]- 377.124181 195.5
[M+CH3COO]- 391.139831 204.1
[M+Na-2H]- 353.100646 177.5
[M]+ 332.12543142 180.2
[M]- 332.12652858 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.