CID 22486676

15932-93-1

Structural Information

Molecular Formula

C₄H₆O₂

SMILES

C1C(CC1=O)O

InChI

InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2

InChIKey

VYZHGWJPDGIYDR-UHFFFAOYSA-N

Compound name

3-hydroxycyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 86.03678 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]+	87.044056	109.3
[M+Na]+	109.025998	116.5
[M-H]-	85.029504	112.2
[M+NH4]+	104.070603	126.1
[M+K]+	124.999938	119.2
[M+H-H2O]+	69.034040	100.6
[M+HCOO]-	131.034981	131.3
[M+CH3COO]-	145.050631	164.5
[M+Na-2H]-	107.011446	116.4
[M]+	86.03623142	116.4
[M]-	86.03732858	116.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe