CID 75148

1-phenylcyclohexanecarbonitrile

Structural Information

Molecular Formula
C13H15N
SMILES
C1CCC(CC1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C13H15N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
AUXIEQKHXAYAHG-UHFFFAOYSA-N
Compound name
1-phenylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6347
Patents

185.12045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 144.6
[M+Na]+ 208.10967 153.0
[M-H]- 184.11317 149.8
[M+NH4]+ 203.15427 163.8
[M+K]+ 224.08361 146.9
[M+H-H2O]+ 168.11771 131.9
[M+HCOO]- 230.11865 161.9
[M+CH3COO]- 244.13430 155.7
[M+Na-2H]- 206.09512 150.7
[M]+ 185.11990 134.9
[M]- 185.12100 134.9
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