CID 68859961

863654-23-3

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC(=O)C1=CC(=CC=C1)OC2CC2

InChI

InChI=1S/C11H12O2/c1-8(12)9-3-2-4-11(7-9)13-10-5-6-10/h2-4,7,10H,5-6H2,1H3

InChIKey

RIBUCHNTAZYOLZ-UHFFFAOYSA-N

Compound name

1-(3-cyclopropyloxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 176.08372 Da
Monoisotopic Mass: 2.4
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]+	177.09100	139.1
[M+Na]+	199.07294	153.4
[M+NH4]+	194.11754	148.5
[M+K]+	215.04688	148.3
[M-H]-	175.07644	149.2
[M+Na-2H]-	197.05839	149.3
[M]+	176.08317	145.1
[M]-	176.08427	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe