CID 20751948

89697-97-2

Structural Information

Molecular Formula
C17H13NO2
SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C17H13NO2/c1-12(2)17(19)20-16-9-7-15(8-10-16)14-5-3-13(11-18)4-6-14/h3-10H,1H2,2H3
InChIKey
PXSYYDJJMLRIFV-UHFFFAOYSA-N
Compound name
[4-(4-cyanophenyl)phenyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

263.09464 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.101916 165.8
[M+Na]+ 286.083858 175.4
[M-H]- 262.087364 171.2
[M+NH4]+ 281.128463 180.3
[M+K]+ 302.057798 169.7
[M+H-H2O]+ 246.091900 151.8
[M+HCOO]- 308.092841 184.3
[M+CH3COO]- 322.108491 208.4
[M+Na-2H]- 284.069306 167.5
[M]+ 263.09409142 161.3
[M]- 263.09518858 161.3
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