CID 3851394

3-ethoxy-2-propoxybenzaldehyde

Structural Information

Molecular Formula
C12H16O3
SMILES
CCCOC1=C(C=CC=C1OCC)C=O
InChI
InChI=1S/C12H16O3/c1-3-8-15-12-10(9-13)6-5-7-11(12)14-4-2/h5-7,9H,3-4,8H2,1-2H3
InChIKey
NGLILBQTESXZCG-UHFFFAOYSA-N
Compound name
3-ethoxy-2-propoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 145.6
[M+Na]+ 231.09916 158.4
[M+NH4]+ 226.14376 153.4
[M+K]+ 247.07310 151.5
[M-H]- 207.10266 147.3
[M+Na-2H]- 229.08461 151.8
[M]+ 208.10939 147.9
[M]- 208.11049 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.