CID 96236

7153-16-4

Structural Information

Molecular Formula
C12H22O6
SMILES
CCOC(C(C(=O)OCC)OCC)C(=O)OCC
InChI
InChI=1S/C12H22O6/c1-5-15-9(11(13)17-7-3)10(16-6-2)12(14)18-8-4/h9-10H,5-8H2,1-4H3
InChIKey
KWALRSPAGVOALG-UHFFFAOYSA-N
Compound name
diethyl 2,3-diethoxybutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.14163 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14891 160.2
[M+Na]+ 285.13085 166.4
[M+NH4]+ 280.17545 164.0
[M+K]+ 301.10479 164.4
[M-H]- 261.13435 156.0
[M+Na-2H]- 283.11630 159.4
[M]+ 262.14108 159.3
[M]- 262.14218 159.3
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.