CID 545831

Alpha-hydroxy-gamma-butyrolactone

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

C1COC(=O)C1O

InChI

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

InChIKey

FWIBCWKHNZBDLS-UHFFFAOYSA-N

Compound name

3-hydroxyoxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3353
Patents: 102.03169 Da
Monoisotopic Mass: -0.4
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]+	103.03897	114.8
[M+Na]+	125.02091	122.9
[M-H]-	101.02441	117.9
[M+NH4]+	120.06551	137.7
[M+K]+	140.99485	123.7
[M+H-H2O]+	85.028950	110.8
[M+HCOO]-	147.02989	137.2
[M+CH3COO]-	161.04554	160.6
[M+Na-2H]-	123.00636	121.4
[M]+	102.03114	113.4
[M]-	102.03224	113.4

Literature stripe

literature stripe

Patent stripe

patents stripe