CID 23533599

3-ethoxyoxan-4-one

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CCOC1COCCC1=O

InChI

InChI=1S/C7H12O3/c1-2-10-7-5-9-4-3-6(7)8/h7H,2-5H2,1H3

InChIKey

OURNLDAKYMUHDM-UHFFFAOYSA-N

Compound name

3-ethoxyoxan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 144.07864 Da
Monoisotopic Mass: -0.1
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	127.5
[M+Na]+	167.06786	133.8
[M-H]-	143.07136	131.4
[M+NH4]+	162.11246	147.6
[M+K]+	183.04180	135.1
[M+H-H2O]+	127.07590	122.2
[M+HCOO]-	189.07684	148.4
[M+CH3COO]-	203.09249	172.6
[M+Na-2H]-	165.05331	134.3
[M]+	144.07809	127.0
[M]-	144.07919	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe