CID 12190988

4,4-dimethoxytetrahydro-2h-pyran-3-ol

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

COC1(CCOCC1O)OC

InChI

InChI=1S/C7H14O4/c1-9-7(10-2)3-4-11-5-6(7)8/h6,8H,3-5H2,1-2H3

InChIKey

BXGOXDLHSNHTCX-UHFFFAOYSA-N

Compound name

4,4-dimethoxyoxan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 162.0892 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]+	163.09648	132.5
[M+Na]+	185.07842	142.5
[M+NH4]+	180.12302	141.5
[M+K]+	201.05236	136.8
[M-H]-	161.08192	134.2
[M+Na-2H]-	183.06387	137.6
[M]+	162.08865	134.3
[M]-	162.08975	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe