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]+ 209.117216 144.6
[M+Na]+ 231.099158 152.8
[M-H]- 207.102664 148.4
[M+NH4]+ 226.143763 164.0
[M+K]+ 247.073098 151.3
[M+H-H2O]+ 191.107200 138.5
[M+HCOO]- 253.108141 169.1
[M+CH3COO]- 267.123791 187.9
[M+Na-2H]- 229.084606 150.0
[M]+ 208.10939142 150.1
[M]- 208.11048858 150.1
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.