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: 74
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]+	115.075356	121.2
[M+Na]+	137.057298	128.0
[M-H]-	113.060804	125.0
[M+NH4]+	132.101903	144.1
[M+K]+	153.031238	128.9
[M+H-H2O]+	97.065340	116.5
[M+HCOO]-	159.066281	144.2
[M+CH3COO]-	173.081931	166.2
[M+Na-2H]-	135.042746	127.8
[M]+	114.06753142	120.6
[M]-	114.06862858	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe