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]+ 264.10192 165.8
[M+Na]+ 286.08386 175.4
[M-H]- 262.08736 171.2
[M+NH4]+ 281.12846 180.3
[M+K]+ 302.05780 169.7
[M+H-H2O]+ 246.09190 151.8
[M+HCOO]- 308.09284 184.3
[M+CH3COO]- 322.10849 208.4
[M+Na-2H]- 284.06931 167.5
[M]+ 263.09409 161.3
[M]- 263.09519 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