CID 70250408

1363381-04-7

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC(=O)C1(COC1)C

InChI

InChI=1S/C6H10O2/c1-5(7)6(2)3-8-4-6/h3-4H2,1-2H3

InChIKey

QDRLIWDQZUUUGX-UHFFFAOYSA-N

Compound name

1-(3-methyloxetan-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 114.06808 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]+	115.07536	118.5
[M+Na]+	137.05730	124.9
[M-H]-	113.06080	123.2
[M+NH4]+	132.10190	135.4
[M+K]+	153.03124	129.6
[M+H-H2O]+	97.065340	110.4
[M+HCOO]-	159.06628	139.5
[M+CH3COO]-	173.08193	172.3
[M+Na-2H]-	135.04275	126.6
[M]+	114.06753	128.0
[M]-	114.06863	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe