CID 97606

1-phenylcyclopentanecarboxamide

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C12H15NO/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,13,14)

InChIKey

YVYGTOKASGORSO-UHFFFAOYSA-N

Compound name

1-phenylcyclopentane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 131
Patents: 189.11537 Da
Monoisotopic Mass: 2.2
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]+	190.12265	144.0
[M+Na]+	212.10459	154.3
[M+NH4]+	207.14919	154.4
[M+K]+	228.07853	147.8
[M-H]-	188.10809	148.0
[M+Na-2H]-	210.09004	152.4
[M]+	189.11482	146.5
[M]-	189.11592	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe