CID 11335700

94412-40-5

Structural Information

Molecular Formula
C22H25N
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C22H25N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h6-7,10-15,17,19H,2-5,8-9H2,1H3
InChIKey
CRCASZFDSWMENA-UHFFFAOYSA-N
Compound name
4-[4-(4-propylcyclohexyl)phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

303.1987 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20598 177.4
[M+Na]+ 326.18792 185.0
[M-H]- 302.19142 184.0
[M+NH4]+ 321.23252 190.4
[M+K]+ 342.16186 175.9
[M+H-H2O]+ 286.19596 162.3
[M+HCOO]- 348.19690 192.8
[M+CH3COO]- 362.21255 185.9
[M+Na-2H]- 324.17337 177.9
[M]+ 303.19815 168.5
[M]- 303.19925 168.5
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