CID 45086119

175982-78-2

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(=O)C1(CCOCC1)OC

InChI

InChI=1S/C8H14O3/c1-7(9)8(10-2)3-5-11-6-4-8/h3-6H2,1-2H3

InChIKey

YPZDAFACMMEUCG-UHFFFAOYSA-N

Compound name

1-(4-methoxyoxan-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 158.0943 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]+	159.101576	132.4
[M+Na]+	181.083518	138.0
[M-H]-	157.087024	136.2
[M+NH4]+	176.128123	153.6
[M+K]+	197.057458	139.8
[M+H-H2O]+	141.091560	127.7
[M+HCOO]-	203.092501	151.9
[M+CH3COO]-	217.108151	175.0
[M+Na-2H]-	179.068966	139.2
[M]+	158.09375142	131.6
[M]-	158.09484858	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe