CID 117721

3-methyltetrahydropyran

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC1CCCOC1

InChI

InChI=1S/C6H12O/c1-6-3-2-4-7-5-6/h6H,2-5H2,1H3

InChIKey

UJQZTMFRMLEYQN-UHFFFAOYSA-N

Compound name

3-methyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2099
Patents: 100.08881 Da
Monoisotopic Mass: 1.4
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]+	101.09609	118.7
[M+Na]+	123.07803	124.3
[M-H]-	99.081534	122.4
[M+NH4]+	118.12263	140.5
[M+K]+	139.05197	125.5
[M+H-H2O]+	83.086070	113.8
[M+HCOO]-	145.08701	139.3
[M+CH3COO]-	159.10266	165.3
[M+Na-2H]-	121.06348	126.7
[M]+	100.08826	115.3
[M]-	100.08936	115.3

Literature stripe

literature stripe

Patent stripe

patents stripe