CID 91538

3,4-dihydro-2-methoxy-2h-pyran

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

COC1CCC=CO1

InChI

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

InChIKey

XCYWUZHUTJDTGS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 776
Patents: 114.06808 Da
Monoisotopic Mass: 1.2
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	119.7
[M+Na]+	137.05730	126.3
[M-H]-	113.06080	123.8
[M+NH4]+	132.10190	141.0
[M+K]+	153.03124	127.8
[M+H-H2O]+	97.065340	114.6
[M+HCOO]-	159.06628	142.0
[M+CH3COO]-	173.08193	166.9
[M+Na-2H]-	135.04275	128.7
[M]+	114.06753	119.2
[M]-	114.06863	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe