CID 213861

Methyldihydropyran

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC1CCC=CO1

InChI

InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h3,5-6H,2,4H2,1H3

InChIKey

YTJGCGBAGAZNLA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 266
Patents: 98.073166 Da
Monoisotopic Mass: 1.6
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]+	121.06238	123.2
[M-H]-	97.065890	120.6
[M+NH4]+	116.10699	138.5
[M+K]+	137.03632	124.2
[M+H-H2O]+	81.070426	111.6
[M+HCOO]-	143.07137	138.6
[M+CH3COO]-	157.08702	164.9
[M+Na-2H]-	119.04783	125.6
[M]+	98.072617	114.5
[M]-	98.073715	114.5

Literature stripe

literature stripe

Patent stripe

patents stripe