CID 175307

4-(4-ethylcyclohexyl)benzonitrile

Structural Information

Molecular Formula
C15H19N
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3
InChIKey
BBHJTCADCKZYSO-UHFFFAOYSA-N
Compound name
4-(4-ethylcyclohexyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

680
Patents

213.15175 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.159026 150.5
[M+Na]+ 236.140968 158.6
[M-H]- 212.144474 155.5
[M+NH4]+ 231.185573 167.3
[M+K]+ 252.114908 152.7
[M+H-H2O]+ 196.149010 137.4
[M+HCOO]- 258.149951 167.1
[M+CH3COO]- 272.165601 200.9
[M+Na-2H]- 234.126416 153.5
[M]+ 213.15120142 141.8
[M]- 213.15229858 141.8
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