CID 81958

2,2'-oxydiacetaldehyde

Structural Information

Molecular Formula
C4H6O3
SMILES
C(C=O)OCC=O
InChI
InChI=1S/C4H6O3/c5-1-3-7-4-2-6/h1-2H,3-4H2
InChIKey
RWGPAMBILZOZBK-UHFFFAOYSA-N
Compound name
2-(2-oxoethoxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1871
Patents

102.03169 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.038966 114.8
[M+Na]+ 125.020908 123.5
[M-H]- 101.024414 115.5
[M+NH4]+ 120.065513 138.1
[M+K]+ 140.994848 124.1
[M+H-H2O]+ 85.028950 110.7
[M+HCOO]- 147.029891 140.5
[M+CH3COO]- 161.045541 165.2
[M+Na-2H]- 123.006356 123.3
[M]+ 102.03114142 118.4
[M]- 102.03223858 118.4
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