CID 18965

25252-64-6

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC(=O)C1CCCO1

InChI

InChI=1S/C6H10O2/c1-5(7)6-3-2-4-8-6/h6H,2-4H2,1H3

InChIKey

KWBQKUZVJVKXHI-UHFFFAOYSA-N

Compound name

1-(oxolan-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 526
Patents: 114.06808 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]+	115.07536	121.9
[M+Na]+	137.05730	128.4
[M-H]-	113.06080	125.8
[M+NH4]+	132.10190	144.7
[M+K]+	153.03124	129.7
[M+H-H2O]+	97.065340	117.3
[M+HCOO]-	159.06628	143.9
[M+CH3COO]-	173.08193	167.0
[M+Na-2H]-	135.04275	127.2
[M]+	114.06753	120.6
[M]-	114.06863	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe