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: 34
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]+	177.090996	135.5
[M+Na]+	199.072938	144.8
[M-H]-	175.076444	143.3
[M+NH4]+	194.117543	150.9
[M+K]+	215.046878	142.5
[M+H-H2O]+	159.080980	129.0
[M+HCOO]-	221.081921	159.6
[M+CH3COO]-	235.097571	184.3
[M+Na-2H]-	197.058386	141.3
[M]+	176.08317142	139.1
[M]-	176.08426858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe