CID 95652

5469-16-9

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

C1C(COC1=O)O

InChI

InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2

InChIKey

FUDDLSHBRSNCBV-UHFFFAOYSA-N

Compound name

4-hydroxyoxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 2728
Patents: 102.03169 Da
Monoisotopic Mass: -0.8
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]+	103.038966	114.8
[M+Na]+	125.020908	122.9
[M-H]-	101.024414	117.9
[M+NH4]+	120.065513	137.7
[M+K]+	140.994848	123.7
[M+H-H2O]+	85.028950	110.8
[M+HCOO]-	147.029891	137.2
[M+CH3COO]-	161.045541	160.6
[M+Na-2H]-	123.006356	121.4
[M]+	102.03114142	113.4
[M]-	102.03223858	113.4

Literature stripe

literature stripe

Patent stripe

patents stripe