CID 7268

Diethyl oxalate

Structural Information

Molecular Formula
C6H10O4
SMILES
CCOC(=O)C(=O)OCC
InChI
InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
InChIKey
WYACBZDAHNBPPB-UHFFFAOYSA-N
Compound name
diethyl oxalate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

34
References

42910
Patents

146.0579 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 129.4
[M+Na]+ 169.04712 138.6
[M+NH4]+ 164.09172 135.8
[M+K]+ 185.02106 135.2
[M-H]- 145.05062 127.1
[M+Na-2H]- 167.03257 131.8
[M]+ 146.05735 129.6
[M]- 146.05845 129.6
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