CID 58583956

1,3-diethyl 2-[2-(2-methoxyethoxy)ethyl]propanedioate

Structural Information

Molecular Formula
C12H22O6
SMILES
CCOC(=O)C(CCOCCOC)C(=O)OCC
InChI
InChI=1S/C12H22O6/c1-4-17-11(13)10(12(14)18-5-2)6-7-16-9-8-15-3/h10H,4-9H2,1-3H3
InChIKey
KQUKAMFBDQKRHG-UHFFFAOYSA-N
Compound name
diethyl 2-[2-(2-methoxyethoxy)ethyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

262.14163 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.148906 161.1
[M+Na]+ 285.130848 165.6
[M-H]- 261.134354 160.5
[M+NH4]+ 280.175453 177.6
[M+K]+ 301.104788 167.1
[M+H-H2O]+ 245.138890 154.9
[M+HCOO]- 307.139831 181.8
[M+CH3COO]- 321.155481 196.6
[M+Na-2H]- 283.116296 161.6
[M]+ 262.14108142 170.0
[M]- 262.14217858 170.0
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