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

82
Patents

298.14163 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14891 168.8
[M+Na]+ 321.13085 172.7
[M-H]- 297.13435 169.7
[M+NH4]+ 316.17545 182.7
[M+K]+ 337.10479 171.6
[M+H-H2O]+ 281.13889 160.9
[M+HCOO]- 343.13983 190.3
[M+CH3COO]- 357.15548 198.2
[M+Na-2H]- 319.11630 172.2
[M]+ 298.14108 176.1
[M]- 298.14218 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