CID 12253800

3-methyloxan-3-ol

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC1(CCCOC1)O

InChI

InChI=1S/C6H12O2/c1-6(7)3-2-4-8-5-6/h7H,2-5H2,1H3

InChIKey

JUQXHRNZEMUHEI-UHFFFAOYSA-N

Compound name

3-methyloxan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 116.08373 Da
Monoisotopic Mass: 0.1
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]+	117.09101	122.8
[M+Na]+	139.07295	133.7
[M+NH4]+	134.11755	133.3
[M+K]+	155.04689	126.9
[M-H]-	115.07645	125.6
[M+Na-2H]-	137.05840	129.3
[M]+	116.08318	125.2
[M]-	116.08428	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe