CID 162129

52736-58-0

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

C1CCN(CC1)C(=O)C2CCC=CC2

InChI

InChI=1S/C12H19NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3,11H,2,4-10H2

InChIKey

FFHOWNJPAGBREV-UHFFFAOYSA-N

Compound name

cyclohex-3-en-1-yl(piperidin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 58
Patents: 193.14667 Da
Monoisotopic Mass: 2.0
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]+	194.153946	146.1
[M+Na]+	216.135888	148.3
[M-H]-	192.139394	149.5
[M+NH4]+	211.180493	163.2
[M+K]+	232.109828	146.3
[M+H-H2O]+	176.143930	138.1
[M+HCOO]-	238.144871	162.0
[M+CH3COO]-	252.160521	181.8
[M+Na-2H]-	214.121336	148.9
[M]+	193.14612142	137.7
[M]-	193.14721858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe