CID 14592758

14774-34-6

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1COCC=C1CO

InChI

InChI=1S/C6H10O2/c7-5-6-1-3-8-4-2-6/h1,7H,2-5H2

InChIKey

OZSJQHMXPNGGII-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 114.06808 Da
Monoisotopic Mass: -0.6
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	120.6
[M+Na]+	137.057298	126.8
[M-H]-	113.060804	123.2
[M+NH4]+	132.101903	141.1
[M+K]+	153.031238	127.2
[M+H-H2O]+	97.065340	115.7
[M+HCOO]-	159.066281	141.3
[M+CH3COO]-	173.081931	164.2
[M+Na-2H]-	135.042746	129.0
[M]+	114.06753142	118.2
[M]-	114.06862858	118.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe