CID 10428

674-26-0

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(CCOC(=O)C1)O

InChI

InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3

InChIKey

JYVXNLLUYHCIIH-UHFFFAOYSA-N

Compound name

4-hydroxy-4-methyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 222
References: 14599
Patents: 130.06299 Da
Monoisotopic Mass: -0.3
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]+	131.07027	124.4
[M+Na]+	153.05221	135.3
[M+NH4]+	148.09681	134.0
[M+K]+	169.02615	129.1
[M-H]-	129.05571	126.5
[M+Na-2H]-	151.03766	130.2
[M]+	130.06244	126.5
[M]-	130.06354	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe