CID 12492604

2-cyclopropyl-1-phenylethan-1-one

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

C1CC1CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H12O/c12-11(8-9-6-7-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2

InChIKey

SKAMSFNTWGMHJW-UHFFFAOYSA-N

Compound name

2-cyclopropyl-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 160.08882 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]+	161.09610	132.1
[M+Na]+	183.07804	140.6
[M-H]-	159.08154	139.6
[M+NH4]+	178.12264	147.9
[M+K]+	199.05198	138.1
[M+H-H2O]+	143.08608	125.5
[M+HCOO]-	205.08702	156.1
[M+CH3COO]-	219.10267	181.4
[M+Na-2H]-	181.06349	138.7
[M]+	160.08827	133.9
[M]-	160.08937	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe