CID 10331762

3-[4-(benzyloxy)phenyl]prop-2-enal

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

13
Patents

238.09938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 154.8
[M+Na]+ 261.08860 170.0
[M+NH4]+ 256.13320 163.6
[M+K]+ 277.06254 160.8
[M-H]- 237.09210 159.5
[M+Na-2H]- 259.07405 164.8
[M]+ 238.09883 158.4
[M]- 238.09993 158.4
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

patents stripe