CID 95302

2-cyclohexyl-2-phenylacetonitrile

Structural Information

Molecular Formula
C14H17N
SMILES
C1CCC(CC1)C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C14H17N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2
InChIKey
IZSWBXTYTALSOZ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

199.1361 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14338 151.9
[M+Na]+ 222.12532 163.9
[M+NH4]+ 217.16992 158.1
[M+K]+ 238.09926 152.7
[M-H]- 198.12882 149.3
[M+Na-2H]- 220.11077 157.1
[M]+ 199.13555 152.1
[M]- 199.13665 152.1
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