CID 87051

17327-22-9

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

COC1=CCOCC1

InChI

InChI=1S/C6H10O2/c1-7-6-2-4-8-5-3-6/h2H,3-5H2,1H3

InChIKey

FSMHNRHLQAABPS-UHFFFAOYSA-N

Compound name

4-methoxy-3,6-dihydro-2H-pyran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 774
Patents: 114.06808 Da
Monoisotopic Mass: 0.5
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	119.7
[M+Na]+	137.057298	126.3
[M-H]-	113.060804	123.8
[M+NH4]+	132.101903	141.0
[M+K]+	153.031238	127.8
[M+H-H2O]+	97.065340	114.6
[M+HCOO]-	159.066281	142.0
[M+CH3COO]-	173.081931	166.9
[M+Na-2H]-	135.042746	128.7
[M]+	114.06753142	119.2
[M]-	114.06862858	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe