CID 20858

Propionaldehyde diethyl acetal

Structural Information

Molecular Formula
C7H16O2
SMILES
CCC(OCC)OCC
InChI
InChI=1S/C7H16O2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3
InChIKey
MBNMGGKBGCIEGF-UHFFFAOYSA-N
Compound name
1,1-diethoxypropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1923
Patents

132.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.12232 128.7
[M+Na]+ 155.10426 138.8
[M+NH4]+ 150.14886 136.7
[M+K]+ 171.07820 133.5
[M-H]- 131.10776 128.1
[M+Na-2H]- 153.08971 132.4
[M]+ 132.11449 129.8
[M]- 132.11559 129.8
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