CID 3077451

4-methyl-3,4-epoxytetrahydropyran

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC12CCOCC1O2

InChI

InChI=1S/C6H10O2/c1-6-2-3-7-4-5(6)8-6/h5H,2-4H2,1H3

InChIKey

GBRYJLRRPQMVTN-UHFFFAOYSA-N

Compound name

6-methyl-3,7-dioxabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 114.06808 Da
Monoisotopic Mass: 0.2
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]+	115.07536	122.5
[M+Na]+	137.05730	132.1
[M-H]-	113.06080	129.5
[M+NH4]+	132.10190	140.7
[M+K]+	153.03124	134.6
[M+H-H2O]+	97.065340	117.5
[M+HCOO]-	159.06628	141.7
[M+CH3COO]-	173.08193	171.0
[M+Na-2H]-	135.04275	134.1
[M]+	114.06753	125.5
[M]-	114.06863	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe