CID 13561250

4-phenylcyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C13H15N
SMILES
C1CC(CCC1C#N)C2=CC=CC=C2
InChI
InChI=1S/C13H15N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-9H2
InChIKey
ZBTVTAHVQRAIMW-UHFFFAOYSA-N
Compound name
4-phenylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

185.12045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 142.8
[M+Na]+ 208.10967 150.9
[M-H]- 184.11317 147.8
[M+NH4]+ 203.15427 160.4
[M+K]+ 224.08361 145.3
[M+H-H2O]+ 168.11771 129.9
[M+HCOO]- 230.11865 160.1
[M+CH3COO]- 244.13430 153.9
[M+Na-2H]- 206.09512 147.5
[M]+ 185.11990 133.2
[M]- 185.12100 133.2
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