CID 10654203

9kyt3jv5w2

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C[C@@H]1[C@H](OC(=O)O1)C

InChI

InChI=1S/C5H8O3/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3/t3-,4-/m1/s1

InChIKey

LWLOKSXSAUHTJO-QWWZWVQMSA-N

Compound name

(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 809
Patents: 116.04734 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]+	117.05462	119.2
[M+Na]+	139.03656	130.2
[M+NH4]+	134.08116	127.4
[M+K]+	155.01050	128.3
[M-H]-	115.04006	122.4
[M+Na-2H]-	137.02201	122.4
[M]+	116.04679	121.5
[M]-	116.04789	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe