CID 200872

Cyclohexanecarboxamide, 1-phenyl-

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

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

InChI

InChI=1S/C13H17NO/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,14,15)

InChIKey

RKNUEXASLVLVSL-UHFFFAOYSA-N

Compound name

1-phenylcyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 230
Patents: 203.13101 Da
Monoisotopic Mass: 2.7
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]+	204.138286	147.3
[M+Na]+	226.120228	151.4
[M-H]-	202.123734	152.6
[M+NH4]+	221.164833	167.0
[M+K]+	242.094168	148.6
[M+H-H2O]+	186.128270	140.5
[M+HCOO]-	248.129211	167.5
[M+CH3COO]-	262.144861	185.8
[M+Na-2H]-	224.105676	151.9
[M]+	203.13046142	140.4
[M]-	203.13155858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe