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

137
Patents

298.14163 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14891 167.4
[M+Na]+ 321.13085 173.6
[M-H]- 297.13435 170.6
[M+NH4]+ 316.17545 182.8
[M+K]+ 337.10479 173.6
[M+H-H2O]+ 281.13889 159.9
[M+HCOO]- 343.13983 190.4
[M+CH3COO]- 357.15548 203.2
[M+Na-2H]- 319.11630 170.0
[M]+ 298.14108 177.6
[M]- 298.14218 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.