CID 10080674

162174-75-6

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1CC1C(=O)C2=CC(=CC=C2)N

InChI

InChI=1S/C10H11NO/c11-9-3-1-2-8(6-9)10(12)7-4-5-7/h1-3,6-7H,4-5,11H2

InChIKey

PPFDHHLTYPCZQS-UHFFFAOYSA-N

Compound name

(3-aminophenyl)-cyclopropylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 161.08406 Da
Monoisotopic Mass: 1.4
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]+	162.091336	130.3
[M+Na]+	184.073278	139.4
[M-H]-	160.076784	137.8
[M+NH4]+	179.117883	145.8
[M+K]+	200.047218	136.2
[M+H-H2O]+	144.081320	124.0
[M+HCOO]-	206.082261	155.0
[M+CH3COO]-	220.097911	183.4
[M+Na-2H]-	182.058726	136.2
[M]+	161.08351142	130.6
[M]-	161.08460858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe