CID 534566

2-ethylcyclobutanone

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CCC1CCC1=O

InChI

InChI=1S/C6H10O/c1-2-5-3-4-6(5)7/h5H,2-4H2,1H3

InChIKey

FZZIOLFULBXCKD-UHFFFAOYSA-N

Compound name

2-ethylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 98.073166 Da
Monoisotopic Mass: 1.0
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]+	99.080442	117.1
[M+Na]+	121.06238	124.2
[M+NH4]+	116.10699	122.3
[M+K]+	137.03632	120.4
[M-H]-	97.065890	116.0
[M+Na-2H]-	119.04783	120.3
[M]+	98.072617	116.5
[M]-	98.073715	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe