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 146.8
[M+Na]+ 222.12532 154.4
[M-H]- 198.12882 151.6
[M+NH4]+ 217.16992 163.8
[M+K]+ 238.09926 148.6
[M+H-H2O]+ 182.13336 133.6
[M+HCOO]- 244.13430 163.7
[M+CH3COO]- 258.14995 197.2
[M+Na-2H]- 220.11077 150.9
[M]+ 199.13555 137.4
[M]- 199.13665 137.4
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