CID 274442

4916-59-0

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC1(C(C(C1=O)(C)C)O)C

InChI

InChI=1S/C8H14O2/c1-7(2)5(9)8(3,4)6(7)10/h5,9H,1-4H3

InChIKey

QAUUZRBVXXQTJZ-UHFFFAOYSA-N

Compound name

3-hydroxy-2,2,4,4-tetramethylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 142.09938 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]+	143.106656	127.2
[M+Na]+	165.088598	136.2
[M-H]-	141.092104	131.1
[M+NH4]+	160.133203	146.5
[M+K]+	181.062538	138.0
[M+H-H2O]+	125.096640	121.3
[M+HCOO]-	187.097581	147.8
[M+CH3COO]-	201.113231	178.0
[M+Na-2H]-	163.074046	133.1
[M]+	142.09883142	137.2
[M]-	142.09992858	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe