CID 76398

Cyclobutyl methyl ketone

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC(=O)C1CCC1

InChI

InChI=1S/C6H10O/c1-5(7)6-3-2-4-6/h6H,2-4H2,1H3

InChIKey

JPJOOTWNILDNAW-UHFFFAOYSA-N

Compound name

1-cyclobutylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1134
Patents: 98.073166 Da
Monoisotopic Mass: 0.9
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	116.5
[M+Na]+	121.06238	122.2
[M-H]-	97.065890	120.2
[M+NH4]+	116.10699	133.3
[M+K]+	137.03632	125.3
[M+H-H2O]+	81.070426	107.2
[M+HCOO]-	143.07137	138.1
[M+CH3COO]-	157.08702	170.9
[M+Na-2H]-	119.04783	122.4
[M]+	98.072617	123.7
[M]-	98.073715	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe