CID 5705112

Cinnamyl benzoate

Structural Information

Molecular Formula
C16H14O2
SMILES
C1=CC=C(C=C1)/C=C/COC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+
InChIKey
UARVBDPGNUHYQT-JXMROGBWSA-N
Compound name
[(E)-3-phenylprop-2-enyl] benzoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

385
Patents

238.09938 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 155.3
[M+Na]+ 261.08860 169.8
[M+NH4]+ 256.13320 163.9
[M+K]+ 277.06254 161.1
[M-H]- 237.09210 159.8
[M+Na-2H]- 259.07405 165.1
[M]+ 238.09883 158.7
[M]- 238.09993 158.7
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