CID 95302

3893-23-0

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

180
Patents

199.1361 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.143376 148.4
[M+Na]+ 222.125318 154.9
[M-H]- 198.128824 152.8
[M+NH4]+ 217.169923 165.0
[M+K]+ 238.099258 149.4
[M+H-H2O]+ 182.133360 135.0
[M+HCOO]- 244.134301 164.3
[M+CH3COO]- 258.149951 197.0
[M+Na-2H]- 220.110766 151.9
[M]+ 199.13555142 138.1
[M]- 199.13664858 138.1
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