CID 54111073

2-(oxolan-3-yl)acetaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1COCC1CC=O

InChI

InChI=1S/C6H10O2/c7-3-1-6-2-4-8-5-6/h3,6H,1-2,4-5H2

InChIKey

LWVRZPPVMAXVMJ-UHFFFAOYSA-N

Compound name

2-(oxolan-3-yl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
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	122.2
[M+Na]+	137.05730	132.4
[M+NH4]+	132.10190	131.0
[M+K]+	153.03124	128.9
[M-H]-	113.06080	124.5
[M+Na-2H]-	135.04275	126.5
[M]+	114.06753	124.0
[M]-	114.06863	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe