CID 11469098

3,4-dihydroxy-3-methyloxolan-2-one

Structural Information

Molecular Formula

C₅H₈O₄

SMILES

CC1(C(COC1=O)O)O

InChI

InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3

InChIKey

OHTGZAWPVDWARE-UHFFFAOYSA-N

Compound name

3,4-dihydroxy-3-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 132.04225 Da
Monoisotopic Mass: -1.2
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]+	133.04953	122.9
[M+Na]+	155.03147	132.1
[M+NH4]+	150.07607	131.4
[M+K]+	171.00541	129.3
[M-H]-	131.03497	123.1
[M+Na-2H]-	153.01692	126.6
[M]+	132.04170	124.0
[M]-	132.04280	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe