CID 38764

41122-70-7

Structural Information

Molecular Formula
C19H21N
SMILES
CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3
InChIKey
VADSDVGLFDVIMG-UHFFFAOYSA-N
Compound name
4-(4-hexylphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

568
Patents

263.1674 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 165.8
[M+Na]+ 286.15662 174.9
[M-H]- 262.16012 170.7
[M+NH4]+ 281.20122 180.8
[M+K]+ 302.13056 167.7
[M+H-H2O]+ 246.16466 151.7
[M+HCOO]- 308.16560 184.9
[M+CH3COO]- 322.18125 210.7
[M+Na-2H]- 284.14207 169.1
[M]+ 263.16685 162.0
[M]- 263.16795 162.0
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.