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

19
Patents

199.1361 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.143376 146.8
[M+Na]+ 222.125318 154.4
[M-H]- 198.128824 151.6
[M+NH4]+ 217.169923 163.8
[M+K]+ 238.099258 148.6
[M+H-H2O]+ 182.133360 133.6
[M+HCOO]- 244.134301 163.7
[M+CH3COO]- 258.149951 197.2
[M+Na-2H]- 220.110766 150.9
[M]+ 199.13555142 137.4
[M]- 199.13664858 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