CID 10999978

50874-07-2

Structural Information

Molecular Formula
C14H18O5
SMILES
CCOC(=O)C(C1=CC(=CC=C1)OC)C(=O)OCC
InChI
InChI=1S/C14H18O5/c1-4-18-13(15)12(14(16)19-5-2)10-7-6-8-11(9-10)17-3/h6-9,12H,4-5H2,1-3H3
InChIKey
LQDZFGZFVADNFD-UHFFFAOYSA-N
Compound name
diethyl 2-(3-methoxyphenyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

266.11542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12270 159.8
[M+Na]+ 289.10464 165.6
[M-H]- 265.10814 163.1
[M+NH4]+ 284.14924 176.2
[M+K]+ 305.07858 165.6
[M+H-H2O]+ 249.11268 153.0
[M+HCOO]- 311.11362 181.2
[M+CH3COO]- 325.12927 197.2
[M+Na-2H]- 287.09009 161.1
[M]+ 266.11487 165.7
[M]- 266.11597 165.7
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