CID 561364

4-benzyloxy-3-ethoxybenzaldehyde

Structural Information

Molecular Formula
C16H16O3
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16O3/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey
NCOFQZRLIYPMNJ-UHFFFAOYSA-N
Compound name
3-ethoxy-4-phenylmethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

705
Patents

256.10995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 157.3
[M+Na]+ 279.09917 165.0
[M-H]- 255.10267 164.0
[M+NH4]+ 274.14377 174.1
[M+K]+ 295.07311 161.8
[M+H-H2O]+ 239.10721 149.4
[M+HCOO]- 301.10815 181.8
[M+CH3COO]- 315.12380 195.6
[M+Na-2H]- 277.08462 162.8
[M]+ 256.10940 161.4
[M]- 256.11050 161.4
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