CID 102776

3,4-dihydro-4-methyl-2h-pyran

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC1CCOC=C1

InChI

InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h2,4,6H,3,5H2,1H3

InChIKey

AQLGQCKMZPKPBC-UHFFFAOYSA-N

Compound name

4-methyl-3,4-dihydro-2H-pyran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 98.073166 Da
Monoisotopic Mass: 1.5
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]+	99.080442	116.5
[M+Na]+	121.062384	123.2
[M-H]-	97.065890	120.6
[M+NH4]+	116.106989	138.5
[M+K]+	137.036324	124.2
[M+H-H2O]+	81.070426	111.6
[M+HCOO]-	143.071367	138.6
[M+CH3COO]-	157.087017	164.9
[M+Na-2H]-	119.047832	125.6
[M]+	98.07261742	114.5
[M]-	98.07371458	114.5

Literature stripe

literature stripe

Patent stripe

patents stripe