CID 95228

N-(p-tolyl)cyclohexanecarboxamide

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CC1=CC=C(C=C1)NC(=O)C2CCCCC2

InChI

InChI=1S/C14H19NO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16)

InChIKey

CAKLGRXELZTXPH-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)cyclohexanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 217.14667 Da
Monoisotopic Mass: 3.5
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]+	218.153946	150.5
[M+Na]+	240.135888	154.2
[M-H]-	216.139394	156.2
[M+NH4]+	235.180493	168.2
[M+K]+	256.109828	151.3
[M+H-H2O]+	200.143930	143.2
[M+HCOO]-	262.144871	171.1
[M+CH3COO]-	276.160521	190.4
[M+Na-2H]-	238.121336	154.0
[M]+	217.14612142	145.0
[M]-	217.14721858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe