CID 162650

2,2-dimethoxyacetaldehyde

Structural Information

Molecular Formula
C4H8O3
SMILES
COC(C=O)OC
InChI
InChI=1S/C4H8O3/c1-6-4(3-5)7-2/h3-4H,1-2H3
InChIKey
OGFKTAMJLKHRAZ-UHFFFAOYSA-N
Compound name
2,2-dimethoxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4539
Patents

104.04734 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.05462 116.9
[M+Na]+ 127.03656 125.0
[M-H]- 103.04006 117.6
[M+NH4]+ 122.08116 140.0
[M+K]+ 143.01050 126.6
[M+H-H2O]+ 87.044600 112.7
[M+HCOO]- 149.04554 141.3
[M+CH3COO]- 163.06119 167.0
[M+Na-2H]- 125.02201 123.9
[M]+ 104.04679 120.5
[M]- 104.04789 120.5
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