CID 10331762

84184-53-2

Structural Information

Molecular Formula

C₁₆H₁₄O₂

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C=O

InChI

InChI=1S/C16H14O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-12H,13H2/b7-4+

InChIKey

NYHQCCMTIODLDK-QPJJXVBHSA-N

Compound name

(E)-3-(4-phenylmethoxyphenyl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 238.09938 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.106656	153.3
[M+Na]+	261.088598	160.7
[M-H]-	237.092104	159.8
[M+NH4]+	256.133203	170.7
[M+K]+	277.062538	156.2
[M+H-H2O]+	221.096640	145.7
[M+HCOO]-	283.097581	177.9
[M+CH3COO]-	297.113231	190.9
[M+Na-2H]-	259.074046	159.6
[M]+	238.09883142	154.8
[M]-	238.09992858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe