CID 4250936

16240-42-9

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC12CCCC1O2

InChI

InChI=1S/C6H10O/c1-6-4-2-3-5(6)7-6/h5H,2-4H2,1H3

InChIKey

XMDQJXIEKHMDMG-UHFFFAOYSA-N

Compound name

1-methyl-6-oxabicyclo[3.1.0]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 234
Patents: 98.073166 Da
Monoisotopic Mass: 1.0
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	120.4
[M+Na]+	121.06238	133.0
[M+NH4]+	116.10699	132.5
[M+K]+	137.03632	128.6
[M-H]-	97.065890	130.5
[M+Na-2H]-	119.04783	128.8
[M]+	98.072617	126.4
[M]-	98.073715	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe