CID 20724208

185912-82-7

Structural Information

Molecular Formula
C20H18O2
SMILES
CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC(=O)C=C
InChI
InChI=1S/C20H18O2/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)22-20(21)4-2/h4,6-9,12-15H,2-3,5H2,1H3
InChIKey
ZJOIGKYWAJEWJR-UHFFFAOYSA-N
Compound name
[4-[2-(4-propylphenyl)ethynyl]phenyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

290.13068 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.137956 173.5
[M+Na]+ 313.119898 183.1
[M-H]- 289.123404 177.5
[M+NH4]+ 308.164503 187.2
[M+K]+ 329.093838 175.3
[M+H-H2O]+ 273.127940 159.8
[M+HCOO]- 335.128881 190.0
[M+CH3COO]- 349.144531 207.8
[M+Na-2H]- 311.105346 174.4
[M]+ 290.13013142 169.5
[M]- 290.13122858 169.5
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