CID 66327

Alpha-cyclohexylidene benzeneacetonitrile

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

C1CCC(=C(C#N)C2=CC=CC=C2)CC1

InChI

InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2

InChIKey

ZHOOOLQOWQVYOE-UHFFFAOYSA-N

Compound name

2-cyclohexylidene-2-phenylacetonitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1402
Patents: 197.12045 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.127726	148.9
[M+Na]+	220.109668	155.7
[M-H]-	196.113174	153.4
[M+NH4]+	215.154273	165.5
[M+K]+	236.083608	149.6
[M+H-H2O]+	180.117710	135.6
[M+HCOO]-	242.118651	165.0
[M+CH3COO]-	256.134301	195.6
[M+Na-2H]-	218.095116	152.3
[M]+	197.11990142	137.8
[M]-	197.12099858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe