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]+	115.075356	119.3
[M+Na]+	137.057298	127.3
[M-H]-	113.060804	122.6
[M+NH4]+	132.101903	137.3
[M+K]+	153.031238	129.5
[M+H-H2O]+	97.065340	111.9
[M+HCOO]-	159.066281	140.5
[M+CH3COO]-	173.081931	171.1
[M+Na-2H]-	135.042746	125.6
[M]+	114.06753142	127.7
[M]-	114.06862858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.