CID 104291

52709-86-1

Structural Information

Molecular Formula
C16H15NO
SMILES
CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3
InChIKey
RZCQJZFWJZHMPK-UHFFFAOYSA-N
Compound name
4-(4-propoxyphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

272
Patents

237.11537 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 156.4
[M+Na]+ 260.10459 171.0
[M+NH4]+ 255.14919 162.1
[M+K]+ 276.07853 159.2
[M-H]- 236.10809 154.0
[M+Na-2H]- 258.09004 163.3
[M]+ 237.11482 157.2
[M]- 237.11592 157.2
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