CID 2773520

110238-91-0

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

COC(=O)C1CCOCC1

InChI

InChI=1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3

InChIKey

CNCMVGXVKBJYNU-UHFFFAOYSA-N

Compound name

methyl oxane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2639
Patents: 144.07864 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]+	145.08592	129.3
[M+Na]+	167.06786	139.6
[M+NH4]+	162.11246	137.5
[M+K]+	183.04180	135.1
[M-H]-	143.07136	131.6
[M+Na-2H]-	165.05331	133.5
[M]+	144.07809	131.1
[M]-	144.07919	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe