CID 165885623

1-[3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-yl]ethan-1-one

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(=O)C12CC(C1)(C2)C3COC3

InChI

InChI=1S/C10H14O2/c1-7(11)9-4-10(5-9,6-9)8-2-12-3-8/h8H,2-6H2,1H3

InChIKey

MQKYKFYZXIKEEC-UHFFFAOYSA-N

Compound name

1-[3-(oxetan-3-yl)-1-bicyclo[1.1.1]pentanyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 0.4
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]+	167.106656	150.5
[M+Na]+	189.088598	152.6
[M-H]-	165.092104	156.0
[M+NH4]+	184.133203	150.8
[M+K]+	205.062538	159.8
[M+H-H2O]+	149.096640	137.4
[M+HCOO]-	211.097581	159.3
[M+CH3COO]-	225.113231	224.3
[M+Na-2H]-	187.074046	154.8
[M]+	166.09883142	176.1
[M]-	166.09992858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.