CID 58409191

142504-42-5

Structural Information

Molecular Formula
C15H22O6
SMILES
C1=CC=C(C=C1)COC(=O)COCCOCCOCCO
InChI
InChI=1S/C15H22O6/c16-6-7-18-8-9-19-10-11-20-13-15(17)21-12-14-4-2-1-3-5-14/h1-5,16H,6-13H2
InChIKey
SOQAKDABVKNXJJ-UHFFFAOYSA-N
Compound name
benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

298.14163 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.148906 168.8
[M+Na]+ 321.130848 172.7
[M-H]- 297.134354 169.7
[M+NH4]+ 316.175453 182.7
[M+K]+ 337.104788 171.6
[M+H-H2O]+ 281.138890 160.9
[M+HCOO]- 343.139831 190.3
[M+CH3COO]- 357.155481 198.2
[M+Na-2H]- 319.116296 172.2
[M]+ 298.14108142 176.1
[M]- 298.14217858 176.1
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