CID 118196325

2-methoxy-2-(oxan-4-yl)ethan-1-ol

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

COC(CO)C1CCOCC1

InChI

InChI=1S/C8H16O3/c1-10-8(6-9)7-2-4-11-5-3-7/h7-9H,2-6H2,1H3

InChIKey

IMOUWWHRKBFKQI-UHFFFAOYSA-N

Compound name

2-methoxy-2-(oxan-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 160.10994 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]+	161.11722	134.8
[M+Na]+	183.09916	144.3
[M+NH4]+	178.14376	142.8
[M+K]+	199.07310	140.0
[M-H]-	159.10266	136.8
[M+Na-2H]-	181.08461	138.3
[M]+	160.10939	136.5
[M]-	160.11049	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe