CID 15546464

408359-52-4

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

CC(=O)C1=CC=CC(=C1)C2CC2

InChI

InChI=1S/C11H12O/c1-8(12)10-3-2-4-11(7-10)9-5-6-9/h2-4,7,9H,5-6H2,1H3

InChIKey

ORLYTWCECJKJCQ-UHFFFAOYSA-N

Compound name

1-(3-cyclopropylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 160.08882 Da
Monoisotopic Mass: 2.5
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]+	161.096096	131.4
[M+Na]+	183.078038	140.8
[M-H]-	159.081544	139.2
[M+NH4]+	178.122643	147.5
[M+K]+	199.051978	138.2
[M+H-H2O]+	143.086080	125.0
[M+HCOO]-	205.087021	155.3
[M+CH3COO]-	219.102671	182.4
[M+Na-2H]-	181.063486	137.4
[M]+	160.08827142	133.6
[M]-	160.08936858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe