CID 93891

58743-76-3

Structural Information

Molecular Formula
C16H15N
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H15N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3
InChIKey
XFMPTZWVMVMELB-UHFFFAOYSA-N
Compound name
4-(4-propylphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

429
Patents

221.12045 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 153.8
[M+Na]+ 244.10967 164.1
[M-H]- 220.11317 159.3
[M+NH4]+ 239.15427 170.4
[M+K]+ 260.08361 157.6
[M+H-H2O]+ 204.11771 140.3
[M+HCOO]- 266.11865 173.8
[M+CH3COO]- 280.13430 202.7
[M+Na-2H]- 242.09512 158.7
[M]+ 221.11990 149.1
[M]- 221.12100 149.1
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

No patent data available for this compound.