CID 12381243

2-methoxyoxan-3-one

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC1C(=O)CCCO1

InChI

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

InChIKey

IMOSSTUONLFKKL-UHFFFAOYSA-N

Compound name

2-methoxyoxan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 130.06299 Da
Monoisotopic Mass: 0.0
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]+	131.070266	122.7
[M+Na]+	153.052208	129.5
[M-H]-	129.055714	126.8
[M+NH4]+	148.096813	143.5
[M+K]+	169.026148	131.0
[M+H-H2O]+	113.060250	117.7
[M+HCOO]-	175.061191	144.0
[M+CH3COO]-	189.076841	169.6
[M+Na-2H]-	151.037656	130.1
[M]+	130.06244142	122.0
[M]-	130.06353858	122.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe