CID 60994

100-73-2

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C1CC(OC=C1)C=O

InChI

InChI=1S/C6H8O2/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2

InChIKey

NPWYTMFWRRIFLK-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-pyran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1031
Patents: 112.05243 Da
Monoisotopic Mass: 0.7
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]+	113.05971	119.5
[M+Na]+	135.04165	131.8
[M+NH4]+	130.08625	128.7
[M+K]+	151.01559	126.1
[M-H]-	111.04515	122.9
[M+Na-2H]-	133.02710	125.9
[M]+	112.05188	122.1
[M]-	112.05298	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe