CID 595993

4-(diethoxymethyl)benzaldehyde

Structural Information

Molecular Formula
C12H16O3
SMILES
CCOC(C1=CC=C(C=C1)C=O)OCC
InChI
InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11-7-5-10(9-13)6-8-11/h5-9,12H,3-4H2,1-2H3
InChIKey
HTMXMFARWHNJDW-UHFFFAOYSA-N
Compound name
4-(diethoxymethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

796
Patents

208.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 146.1
[M+Na]+ 231.09916 158.2
[M+NH4]+ 226.14376 153.8
[M+K]+ 247.07310 151.9
[M-H]- 207.10266 147.5
[M+Na-2H]- 229.08461 152.1
[M]+ 208.10939 148.1
[M]- 208.11049 148.1
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

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