CID 13813654

100121-80-0

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

COC1=CC=C(C=C1)C(=O)C2CCC2

InChI

InChI=1S/C12H14O2/c1-14-11-7-5-10(6-8-11)12(13)9-3-2-4-9/h5-9H,2-4H2,1H3

InChIKey

ZFYOOJLCJQTVHL-UHFFFAOYSA-N

Compound name

cyclobutyl-(4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 190.09938 Da
Monoisotopic Mass: 2.6
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]+	191.106656	137.4
[M+Na]+	213.088598	142.9
[M-H]-	189.092104	143.8
[M+NH4]+	208.133203	150.4
[M+K]+	229.062538	144.3
[M+H-H2O]+	173.096640	126.0
[M+HCOO]-	235.097581	158.9
[M+CH3COO]-	249.113231	187.0
[M+Na-2H]-	211.074046	142.0
[M]+	190.09883142	146.1
[M]-	190.09992858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe