CID 77029

Cyclopropyl phenyl ketone

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

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

InChI

InChI=1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

PJRHFTYXYCVOSJ-UHFFFAOYSA-N

Compound name

cyclopropyl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 831
Patents: 146.07317 Da
Monoisotopic Mass: 2.1
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]+	147.08045	127.7
[M+Na]+	169.06239	136.7
[M-H]-	145.06589	135.4
[M+NH4]+	164.10699	144.1
[M+K]+	185.03633	134.4
[M+H-H2O]+	129.07043	121.4
[M+HCOO]-	191.07137	152.1
[M+CH3COO]-	205.08702	178.5
[M+Na-2H]-	167.04784	134.9
[M]+	146.07262	129.2
[M]-	146.07372	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe