CID 535022

2,2-dimethylcyclobutan-1-one

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC1(CCC1=O)C

InChI

InChI=1S/C6H10O/c1-6(2)4-3-5(6)7/h3-4H2,1-2H3

InChIKey

DOPFCVBSOPCWAQ-UHFFFAOYSA-N

Compound name

2,2-dimethylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
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	117.8
[M+Na]+	121.06238	125.0
[M+NH4]+	116.10699	124.4
[M+K]+	137.03632	119.6
[M-H]-	97.065890	116.6
[M+Na-2H]-	119.04783	122.5
[M]+	98.072617	117.4
[M]-	98.073715	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe