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]+ 263.14891 161.1
[M+Na]+ 285.13085 165.6
[M-H]- 261.13435 160.5
[M+NH4]+ 280.17545 177.6
[M+K]+ 301.10479 167.1
[M+H-H2O]+ 245.13889 154.9
[M+HCOO]- 307.13983 181.8
[M+CH3COO]- 321.15548 196.6
[M+Na-2H]- 283.11630 161.6
[M]+ 262.14108 170.0
[M]- 262.14218 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