CID 88546

20452-51-1

Structural Information

Molecular Formula
C16H22O6
SMILES
CCOC(=O)C(CC1=C(C=CC(=C1)OC)OC)C(=O)OCC
InChI
InChI=1S/C16H22O6/c1-5-21-15(17)13(16(18)22-6-2)10-11-9-12(19-3)7-8-14(11)20-4/h7-9,13H,5-6,10H2,1-4H3
InChIKey
HJUFGOPKAMIEDJ-UHFFFAOYSA-N
Compound name
diethyl 2-[(2,5-dimethoxyphenyl)methyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

310.14163 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14891 170.8
[M+Na]+ 333.13085 180.3
[M+NH4]+ 328.17545 175.4
[M+K]+ 349.10479 176.5
[M-H]- 309.13435 169.8
[M+Na-2H]- 331.11630 173.3
[M]+ 310.14108 171.5
[M]- 310.14218 171.5
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