CID 3686111

N-(benzyloxy)cyclohexanecarboxamide

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

C1CCC(CC1)C(=O)NOCC2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c16-14(13-9-5-2-6-10-13)15-17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)

InChIKey

OKFYBNPULQFGII-UHFFFAOYSA-N

Compound name

N-phenylmethoxycyclohexanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 233.14159 Da
Monoisotopic Mass: 3.2
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]+	234.148866	153.7
[M+Na]+	256.130808	156.2
[M-H]-	232.134314	158.9
[M+NH4]+	251.175413	170.3
[M+K]+	272.104748	153.9
[M+H-H2O]+	216.138850	145.8
[M+HCOO]-	278.139791	174.4
[M+CH3COO]-	292.155441	191.3
[M+Na-2H]-	254.116256	157.9
[M]+	233.14104142	149.2
[M]-	233.14213858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe