CID 71758314

3-hydroxy-2,2-dimethylcyclobutan-1-one

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1(C(CC1=O)O)C

InChI

InChI=1S/C6H10O2/c1-6(2)4(7)3-5(6)8/h4,7H,3H2,1-2H3

InChIKey

HIHXJYFTNFBAKH-UHFFFAOYSA-N

Compound name

3-hydroxy-2,2-dimethylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 114.06808 Da
Monoisotopic Mass: 0.0
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]+	115.07536	121.9
[M+Na]+	137.05730	128.5
[M+NH4]+	132.10190	127.6
[M+K]+	153.03124	124.0
[M-H]-	113.06080	119.8
[M+Na-2H]-	135.04275	125.3
[M]+	114.06753	121.1
[M]-	114.06863	121.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.