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

43
Patents

303.1987 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.205976 177.4
[M+Na]+ 326.187918 185.0
[M-H]- 302.191424 184.0
[M+NH4]+ 321.232523 190.4
[M+K]+ 342.161858 175.9
[M+H-H2O]+ 286.195960 162.3
[M+HCOO]- 348.196901 192.8
[M+CH3COO]- 362.212551 185.9
[M+Na-2H]- 324.173366 177.9
[M]+ 303.19815142 168.5
[M]- 303.19924858 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