CID 20245474

2-(4-cyclohexylphenyl)acetonitrile

Structural Information

Molecular Formula
C14H17N
SMILES
C1CCC(CC1)C2=CC=C(C=C2)CC#N
InChI
InChI=1S/C14H17N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKey
UNBNFPZJBCKFKR-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

199.1361 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14338 150.7
[M+Na]+ 222.12532 163.3
[M+NH4]+ 217.16992 157.1
[M+K]+ 238.09926 151.7
[M-H]- 198.12882 148.3
[M+Na-2H]- 220.11077 156.2
[M]+ 199.13555 151.1
[M]- 199.13665 151.1
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