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
2
Annotation Hits

5
References

592
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

literature stripe

Patent stripe

patents stripe