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

3
Annotation Hits: 222
References: 15704
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	122.9
[M+Na]+	153.05221	130.2
[M-H]-	129.05571	126.0
[M+NH4]+	148.09681	145.0
[M+K]+	169.02615	131.0
[M+H-H2O]+	113.06025	119.1
[M+HCOO]-	175.06119	142.6
[M+CH3COO]-	189.07684	166.5
[M+Na-2H]-	151.03766	131.0
[M]+	130.06244	120.6
[M]-	130.06354	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe