CID 23533610

624734-17-4

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC1COCCC1=O

InChI

InChI=1S/C6H10O3/c1-8-6-4-9-3-2-5(6)7/h6H,2-4H2,1H3

InChIKey

YMJJPBWCARDMCG-UHFFFAOYSA-N

Compound name

3-methoxyoxan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 225
Patents: 130.06299 Da
Monoisotopic Mass: -0.5
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	123.9
[M+Na]+	153.05221	135.1
[M+NH4]+	148.09681	132.4
[M+K]+	169.02615	130.3
[M-H]-	129.05571	126.5
[M+Na-2H]-	151.03766	128.6
[M]+	130.06244	126.0
[M]-	130.06354	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe