CID 534753

3-ethylcyclobutan-1-one

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CCC1CC(=O)C1

InChI

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

InChIKey

SWSOFKZYSFBJSH-UHFFFAOYSA-N

Compound name

3-ethylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
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	114.3
[M+Na]+	121.06238	121.3
[M-H]-	97.065890	118.3
[M+NH4]+	116.10699	131.5
[M+K]+	137.03632	123.9
[M+H-H2O]+	81.070426	105.4
[M+HCOO]-	143.07137	137.0
[M+CH3COO]-	157.08702	171.2
[M+Na-2H]-	119.04783	120.9
[M]+	98.072617	122.6
[M]-	98.073715	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe