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

791
Patents

208.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 145.7
[M+Na]+ 231.099158 152.7
[M-H]- 207.102664 149.2
[M+NH4]+ 226.143763 164.7
[M+K]+ 247.073098 151.6
[M+H-H2O]+ 191.107200 139.5
[M+HCOO]- 253.108141 169.2
[M+CH3COO]- 267.123791 187.5
[M+Na-2H]- 229.084606 150.5
[M]+ 208.10939142 150.2
[M]- 208.11048858 150.2
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