CID 2808992

Ethyl 3,4-bis(2-methoxyethoxy)benzoate

Structural Information

Molecular Formula
C15H22O6
SMILES
CCOC(=O)C1=CC(=C(C=C1)OCCOC)OCCOC
InChI
InChI=1S/C15H22O6/c1-4-19-15(16)12-5-6-13(20-9-7-17-2)14(11-12)21-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3
InChIKey
VGFZRAVMWXHEJB-UHFFFAOYSA-N
Compound name
ethyl 3,4-bis(2-methoxyethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

138
Patents

298.14163 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.148906 167.4
[M+Na]+ 321.130848 173.6
[M-H]- 297.134354 170.6
[M+NH4]+ 316.175453 182.8
[M+K]+ 337.104788 173.6
[M+H-H2O]+ 281.138890 159.9
[M+HCOO]- 343.139831 190.4
[M+CH3COO]- 357.155481 203.2
[M+Na-2H]- 319.116296 170.0
[M]+ 298.14108142 177.6
[M]- 298.14217858 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe