CID 23057

2-methoxytetrahydropyran

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

COC1CCCCO1

InChI

InChI=1S/C6H12O2/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3

InChIKey

XTDKZSUYCXHXJM-UHFFFAOYSA-N

Compound name

2-methoxyoxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 5427
Patents: 116.08373 Da
Monoisotopic Mass: 0.9
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]+	117.091006	121.8
[M+Na]+	139.072948	127.4
[M-H]-	115.076454	125.5
[M+NH4]+	134.117553	142.9
[M+K]+	155.046888	129.0
[M+H-H2O]+	99.080990	116.7
[M+HCOO]-	161.081931	142.6
[M+CH3COO]-	175.097581	167.3
[M+Na-2H]-	137.058396	129.8
[M]+	116.08318142	119.9
[M]-	116.08427858	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe