CID 10374434

1193-20-0

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1CC(=O)CCO1

InChI

InChI=1S/C6H10O2/c1-5-4-6(7)2-3-8-5/h5H,2-4H2,1H3

InChIKey

MQOPUXINXNVMKJ-UHFFFAOYSA-N

Compound name

2-methyloxan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 445
Patents: 114.06808 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]+	115.07536	120.8
[M+Na]+	137.05730	132.6
[M+NH4]+	132.10190	129.9
[M+K]+	153.03124	127.2
[M-H]-	113.06080	124.0
[M+Na-2H]-	135.04275	126.1
[M]+	114.06753	123.3
[M]-	114.06863	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe