CID 2376538

3-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=C(C=CC(=C1)C=O)OCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O4/c1-19-16-9-12(10-17)7-8-15(16)20-11-14(18)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
YCEPMNIGSKPMIO-UHFFFAOYSA-N
Compound name
3-methoxy-4-phenacyloxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.2
[M+Na]+ 293.07842 166.8
[M-H]- 269.08192 166.0
[M+NH4]+ 288.12302 175.2
[M+K]+ 309.05236 164.1
[M+H-H2O]+ 253.08646 151.2
[M+HCOO]- 315.08740 183.1
[M+CH3COO]- 329.10305 197.7
[M+Na-2H]- 291.06387 163.6
[M]+ 270.08865 163.4
[M]- 270.08975 163.4
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

No patent data available for this compound.